data_5khb_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 5khb _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' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.495 -0.242 . . . . 60.34 112.495 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 39.0 mm -100.17 -31.28 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.761 0.315 . . . . 73.01 111.085 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 5.3 mp -73.5 -25.05 20.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 74.24 111.137 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.03 -25.0 32.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 74.44 111.121 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -100.49 -18.23 21.77 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.726 -0.75 . . . . 74.14 112.53 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 8.7 tp -53.99 -32.39 22.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.78 0.324 . . . . 65.35 111.129 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 29.6 pt -73.74 -27.7 23.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 71.31 111.155 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 41.0 mttt -80.43 -18.67 48.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 73.25 110.914 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 61.5 t -99.29 -42.08 10.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 73.52 111.129 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 15.5 tt -51.69 -30.39 11.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.126 -0.488 . . . . 72.21 111.109 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -71.76 -43.49 65.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 74.12 110.879 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.3 m -74.79 -26.59 59.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 71.23 110.873 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 31.9 tp -67.57 -44.69 77.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 74.43 110.944 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 54.0 mt -66.34 -25.24 34.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 75.13 111.116 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -68.96 -58.5 4.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 73.32 110.866 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -58.67 -38.64 78.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 73.31 110.96 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -58.27 -67.08 0.38 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 74.41 110.876 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 59.3 p . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 73.43 111.18 -179.914 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.478 -0.249 . . . . 55.42 112.478 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 38.7 mm -90.29 -28.41 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.815 0.341 . . . . 73.41 111.143 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 75.5 mt -73.53 -24.87 20.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 64.55 111.149 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.2 -25.05 32.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 64.34 111.092 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -101.07 -18.06 20.91 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.777 -0.725 . . . . 65.44 112.512 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 8.3 tp -52.88 -33.47 19.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.811 0.339 . . . . 74.23 111.176 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 27.6 pt -71.64 -30.62 39.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 71.34 111.145 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -77.85 -19.21 55.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 73.04 110.878 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 29.5 t -97.38 -45.12 12.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 71.23 111.099 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 20.7 tt -51.67 -30.35 11.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.189 -0.459 . . . . 64.4 111.161 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 61.2 mmtt -72.04 -41.64 67.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 74.13 110.869 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.9 t -76.27 -26.55 56.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 74.42 110.88 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 44.5 tp -68.57 -44.43 74.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.116 -0.493 . . . . 74.25 110.912 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 55.7 mt -67.46 -25.75 34.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.448 . . . . 71.43 111.126 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -70.26 -58.88 3.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 71.11 110.928 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -57.15 -41.87 79.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 73.34 110.876 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -54.56 -66.96 0.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 75.24 110.875 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 63.9 p . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 75.31 111.131 -179.919 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.491 -0.243 . . . . 52.44 112.491 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.4 mp -92.62 -25.02 5.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.83 0.347 . . . . 73.25 111.136 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 28.1 mm -72.25 -24.44 22.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 73.32 111.132 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.82 -24.84 33.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 75.12 111.085 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -101.18 -18.43 19.56 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.787 -0.721 . . . . 74.52 112.461 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 8.5 tp -53.01 -33.16 19.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.82 0.343 . . . . 73.33 111.099 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 28.6 pt -71.84 -30.69 38.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 63.3 111.125 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.8 -19.18 55.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 73.12 110.885 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 39.4 t -97.41 -45.11 12.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.226 -0.443 . . . . 64.33 111.121 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 10.7 tp -51.67 -30.14 11.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 73.24 111.12 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -74.22 -51.53 15.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 74.3 110.916 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 34.3 p -56.84 -34.75 68.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 73.43 110.89 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.47 -58.53 4.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.103 -0.499 . . . . 63.41 110.963 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 56.4 mt -57.04 -27.81 27.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 74.5 111.107 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -61.14 -64.25 1.02 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 63.41 110.892 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -54.89 -29.24 55.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 71.32 110.968 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -71.79 -52.06 19.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 72.12 110.902 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 52.2 p . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 75.35 111.082 -179.914 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.516 -0.234 . . . . 70.21 112.516 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 50.7 mm -116.04 -26.16 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.732 0.301 . . . . 74.41 111.093 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 70.6 mt -73.54 -24.74 20.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.226 -0.443 . . . . 75.13 111.118 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.12 -24.87 32.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 72.31 111.108 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -101.66 -17.74 20.49 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.751 -0.738 . . . . 73.43 112.496 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 8.1 tp -52.86 -33.58 19.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.833 0.349 . . . . 70.53 111.147 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 28.8 pt -71.64 -30.66 39.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 74.21 111.149 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 21.6 ttmt -77.62 -19.3 55.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 73.01 110.913 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 61.6 t -97.12 -45.4 12.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 75.31 111.154 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 6.9 tt -51.69 -30.26 11.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 74.5 111.106 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 53.1 mmtt -72.56 -38.83 67.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 74.31 110.917 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.0 m -70.13 -36.71 74.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 63.54 110.867 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -64.58 -27.21 68.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.099 -0.501 . . . . 74.45 110.922 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 49.2 mt -86.11 -35.65 9.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 74.33 111.163 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 20.4 tp10 -62.62 -43.29 99.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 73.43 110.928 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -71.98 -33.46 68.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 74.0 110.873 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -69.55 -62.18 1.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.436 . . . . 75.14 110.882 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 48.4 p . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.48 . . . . 70.43 111.134 -179.931 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.489 -0.244 . . . . 71.32 112.489 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 43.0 mm -91.98 -32.49 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.794 0.33 . . . . 75.31 111.092 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 5.3 mp -73.53 -24.88 20.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 73.23 111.113 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.09 -24.82 32.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 74.33 111.113 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -101.63 -17.63 20.88 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.682 -0.771 . . . . 73.52 112.529 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 8.1 tp -52.99 -33.52 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.847 0.356 . . . . 75.31 111.135 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 28.1 pt -71.62 -30.61 39.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 63.23 111.169 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.6 tttt -77.8 -19.22 55.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 74.21 110.887 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 57.3 t -97.22 -46.47 12.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 74.32 111.133 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 14.2 tt -51.71 -30.08 11.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 74.31 111.152 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.1 mtpp -82.68 -49.19 10.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 73.14 110.879 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 30.3 t -57.98 -35.1 70.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 73.21 110.846 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.23 -53.86 26.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 75.43 110.939 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 55.3 mt -60.28 -27.3 39.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 73.42 111.141 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -64.61 -61.41 2.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 73.55 110.913 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -56.66 -27.36 58.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 71.34 110.912 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -73.72 -51.98 14.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 74.15 110.907 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 52.5 p . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 74.01 111.112 -179.923 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.501 -0.24 . . . . 52.21 112.501 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 36.2 mm -105.23 -34.85 3.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.802 0.334 . . . . 74.15 111.173 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 73.6 mt -73.43 -25.04 20.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 75.55 111.174 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.69 -25.01 33.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 72.01 111.099 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -100.56 -18.22 21.62 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.753 -0.737 . . . . 73.34 112.504 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 9.1 tp -53.98 -32.58 22.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.748 0.309 . . . . 74.0 111.104 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 26.9 pt -73.51 -27.69 23.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 75.21 111.111 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 20.3 ttpp -80.53 -18.63 47.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 73.33 110.901 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 47.8 t -99.3 -42.78 11.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 75.32 111.14 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 10.9 tp -51.66 -30.37 11.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 65.2 111.129 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -74.05 -43.66 57.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 75.13 110.911 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.5 t -66.55 -26.7 67.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.216 -0.447 . . . . 75.12 110.853 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -75.92 -59.23 2.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 73.31 110.9 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 55.4 mt -55.64 -26.6 20.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 65.03 111.138 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.39 -63.12 1.27 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 71.42 110.89 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.43 -28.98 68.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 72.42 110.946 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -55.47 -64.55 0.81 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 73.11 110.856 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 43.8 p . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 72.11 111.152 -179.929 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.495 -0.242 . . . . 73.13 112.495 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 43.5 mm -100.05 -34.73 4.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.781 0.324 . . . . 71.15 111.134 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 5.4 mp -76.23 -24.79 16.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 74.31 111.103 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.97 -24.91 32.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 71.44 111.12 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -99.94 -18.26 22.99 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.733 -0.746 . . . . 74.42 112.484 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 9.2 tp -54.03 -32.35 22.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.847 0.356 . . . . 73.22 111.165 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 29.4 pt -73.75 -27.54 23.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 73.41 111.137 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.7 mmpt? -80.68 -18.56 47.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 75.13 110.917 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 44.0 t -99.49 -42.53 10.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 75.3 111.099 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 20.2 tt -51.69 -30.06 11.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.457 . . . . 75.44 111.12 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.49 -43.86 30.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 75.12 110.876 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.9 m -64.18 -35.74 81.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 73.23 110.834 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.38 -56.88 7.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.108 -0.496 . . . . 75.22 110.895 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 60.7 mt -57.21 -26.13 24.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 75.11 111.144 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -64.22 -63.96 1.01 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 74.21 110.909 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -53.54 -29.0 34.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 73.12 110.903 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -70.9 -69.86 0.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 74.45 110.879 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 43.4 p . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 74.53 111.109 -179.923 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.466 -0.254 . . . . 70.34 112.466 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 37.1 mm -95.89 -30.72 4.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.872 0.368 . . . . 74.41 111.179 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 5.4 mp -76.63 -24.7 15.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 73.22 111.116 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.9 -24.98 32.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 72.02 111.077 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -99.63 -18.51 23.01 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.774 -0.726 . . . . 64.23 112.529 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 9.3 tp -54.52 -29.5 20.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.77 0.319 . . . . 75.21 111.131 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 26.5 pt -76.16 -27.52 17.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 73.22 111.132 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.91 -18.44 47.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.14 -0.482 . . . . 74.44 110.936 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 60.3 t -99.7 -42.4 10.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 75.42 111.143 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 20.4 tt -51.7 -30.04 11.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 74.41 111.156 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 27.1 mmtp -71.12 -41.08 71.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 73.35 110.873 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.5 t -70.24 -26.53 63.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 53.44 110.862 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -72.45 -56.74 4.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.11 -0.496 . . . . 70.23 110.935 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 56.1 mt -54.54 -29.98 21.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 74.34 111.121 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -66.17 -58.54 5.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 70.23 110.854 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -65.19 -30.31 71.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 70.45 110.885 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -57.43 -65.12 0.68 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 73.2 110.896 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 30.4 p . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 65.32 111.166 -179.97 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.521 -0.232 . . . . 74.13 112.521 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 33.5 mm -115.23 -25.28 3.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.797 0.332 . . . . 74.42 111.114 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 5.3 mp -99.65 -24.69 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 73.24 111.147 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.83 -24.86 30.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 50.21 111.102 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -97.92 -18.47 27.14 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.675 -0.774 . . . . 72.01 112.485 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 9.7 tp -53.97 -31.88 21.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.835 0.35 . . . . 73.24 111.129 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 28.9 pt -73.76 -28.15 23.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 74.12 111.092 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.8 ttmm -80.62 -18.35 48.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 75.02 110.885 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 71.9 t -99.66 -42.69 10.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.24 -0.436 . . . . 74.01 111.105 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 11.9 tt -51.73 -30.35 11.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 73.22 111.118 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.0 mmmt -68.22 -38.83 82.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 75.51 110.935 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.2 t -68.21 -38.05 81.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 74.21 110.888 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -66.43 -49.34 67.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 75.13 110.949 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 68.1 mt -65.12 -31.23 53.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 74.31 111.166 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -57.21 -70.2 0.13 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 73.14 110.85 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.66 -30.76 33.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 75.24 110.894 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -63.91 -59.01 5.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 74.04 110.869 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 31.1 p . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 74.54 111.113 -179.902 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.46 -0.256 . . . . 71.31 112.46 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 35.3 mm -89.6 -25.02 5.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.82 0.343 . . . . 74.24 111.115 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 45.2 mm -67.43 -24.45 31.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 74.5 111.129 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.64 -24.87 31.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.481 . . . . 74.12 111.151 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -97.86 -19.17 25.19 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.719 -0.753 . . . . 73.23 112.499 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 9.5 tp -54.38 -30.96 21.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.789 0.328 . . . . 74.12 111.147 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 29.1 pt -74.76 -27.36 20.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 70.25 111.104 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.2 ttmt -81.27 -18.27 46.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 74.42 110.906 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 67.2 t -100.26 -41.69 9.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 71.53 111.125 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 10.4 tp -51.66 -30.35 11.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 65.33 111.114 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 30.7 mmtp -75.09 -44.51 47.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 75.42 110.954 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.7 m -67.29 -29.87 69.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 74.21 110.896 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.5 mt -64.66 -51.02 64.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.081 -0.509 . . . . 74.21 110.852 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 55.1 mt -52.08 -40.68 30.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 73.44 111.13 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -60.63 -61.01 2.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 72.01 110.926 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -58.23 -28.69 65.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 75.25 110.949 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -71.05 -48.74 51.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 74.11 110.897 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 34.9 p . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 72.33 111.154 -179.934 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.496 -0.242 . . . . 72.53 112.496 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 27.5 mm -107.72 -44.18 6.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.827 0.346 . . . . 71.4 111.126 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 5.3 mp -80.49 -25.3 11.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 72.34 111.115 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.98 -25.29 37.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 74.44 111.071 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -97.69 -22.92 14.8 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.765 -0.731 . . . . 70.2 112.464 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 10.4 tp -52.47 -28.99 12.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.794 0.33 . . . . 74.01 111.104 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 26.6 pt -87.82 -27.56 5.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 75.24 111.098 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 43.7 mttt -97.99 18.46 15.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 73.21 110.894 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 84.6 t -135.88 -41.25 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 74.23 111.155 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.8 tp -51.76 -31.7 13.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 75.51 111.14 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.8 mttt -70.54 -41.85 71.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 75.42 110.873 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 9.6 p -76.06 -26.76 56.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 73.1 110.866 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 40.1 tp -67.77 -43.05 80.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 72.14 110.896 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 56.6 mt -68.48 -27.44 36.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 75.32 111.1 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -67.26 -59.32 3.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 64.12 110.877 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -57.9 -41.02 81.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 64.22 110.894 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -54.54 -66.92 0.32 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 74.51 110.894 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 65.1 p . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.125 -0.489 . . . . 71.21 111.139 -179.897 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 N-CA-C 112.469 -0.252 . . . . 53.44 112.469 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 44.4 mm -105.59 -47.01 9.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.799 0.333 . . . . 74.33 111.152 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 5.4 mp -79.11 -25.05 12.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 73.4 111.095 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.08 -25.09 32.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 70.15 111.068 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -97.84 -19.89 23.11 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.741 -0.743 . . . . 74.43 112.497 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 10.1 tp -54.37 -31.84 23.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.807 0.337 . . . . 75.15 111.115 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.3 pp -75.11 -26.57 19.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 64.5 111.152 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.4 mtpm? -82.56 -17.66 44.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 73.31 110.918 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 43.8 t -105.04 -24.15 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 75.53 111.132 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 10.7 tp -51.77 -29.82 11.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 75.02 111.144 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.14 -47.38 51.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.47 . . . . 71.31 110.904 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 46.1 t -70.97 -26.65 63.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 70.33 110.878 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 26.5 tp -67.92 -48.73 65.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.115 -0.493 . . . . 74.14 110.928 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 54.1 mt -63.62 -26.27 40.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 73.12 111.095 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -68.46 -60.94 2.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 73.51 110.945 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -55.68 -41.79 74.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.489 . . . . 61.41 110.949 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -54.8 -68.06 0.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 75.01 110.86 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 69.9 p . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 74.44 111.126 -179.87 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.483 -0.247 . . . . 75.2 112.483 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.4 mp -101.36 -47.76 11.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.824 0.345 . . . . 74.14 111.119 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 5.3 mp -74.41 -25.38 19.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 70.11 111.089 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.87 -25.01 30.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 72.01 111.094 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -98.86 -19.56 21.64 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.729 -0.748 . . . . 65.21 112.495 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 9.4 tp -54.05 -32.93 23.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.832 0.348 . . . . 73.33 111.148 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.3 pp -75.31 -26.58 18.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 75.43 111.079 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.9 ttpp -82.62 -17.62 44.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 70.52 110.861 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 62.0 t -104.92 -24.24 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 72.54 111.158 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 20.8 tt -51.72 -29.82 10.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 73.04 111.135 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -75.15 -48.37 23.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 74.31 110.863 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 49.4 m -57.02 -35.72 69.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 73.22 110.839 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.03 -58.89 3.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.098 -0.501 . . . . 63.04 110.892 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 56.2 mt -59.77 -25.34 31.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 71.33 111.11 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 53.8 tt0 -57.71 -69.86 0.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 63.42 110.897 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -53.98 -29.01 41.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 74.15 110.866 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -65.86 -65.94 0.61 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 71.13 110.861 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 31.2 p . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 72.21 111.178 -179.92 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.47 -0.252 . . . . 64.14 112.47 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.4 mp -104.04 -47.5 10.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.81 0.338 . . . . 75.14 111.136 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 5.3 mp -75.06 -25.07 18.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 73.13 111.142 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -84.31 -25.03 29.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 62.12 111.08 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -98.51 -19.37 23.08 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.746 -0.74 . . . . 75.33 112.466 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 9.6 tp -54.09 -32.73 23.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.802 0.334 . . . . 74.4 111.157 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.1 pp -75.13 -26.62 19.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 72.42 111.116 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.8 ttpt -82.66 -17.61 43.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 75.13 110.83 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 57.9 t -104.96 -24.27 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 73.44 111.12 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.0 tt -51.72 -29.84 10.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 72.21 111.169 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.3 mttt -75.32 -59.32 2.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 73.32 110.886 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 74.7 m -56.97 -29.74 63.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 65.24 110.827 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 57.7 tp -70.47 -59.5 2.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 73.13 110.877 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 61.0 mt -59.62 -26.69 35.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 72.15 111.128 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 -55.25 -71.27 0.09 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 75.21 110.918 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.26 -30.21 26.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 73.24 110.911 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -65.1 -54.62 27.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 74.21 110.861 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 31.0 p . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 73.34 111.164 -179.949 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.497 -0.241 . . . . 62.01 112.497 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 40.3 mm -97.49 -25.61 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.786 0.327 . . . . 72.12 111.122 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 5.1 mp -98.63 -25.15 4.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 73.45 111.102 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.37 -25.06 34.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 73.42 111.072 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -97.28 -19.77 24.85 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.724 -0.751 . . . . 64.3 112.458 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 10.7 tp -54.62 -30.79 22.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.762 0.315 . . . . 75.03 111.127 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 29.7 pt -75.08 -26.73 19.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 73.4 111.081 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.2 ttpp -82.58 -17.63 44.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 73.44 110.868 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 48.7 t -104.91 -24.21 4.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 63.22 111.151 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 17.5 tt -51.82 -29.77 11.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 74.21 111.118 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.2 tppt? -72.41 -48.22 43.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 74.52 110.923 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 59.5 m -70.24 -26.47 63.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 74.11 110.863 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 25.6 tp -68.28 -49.61 59.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.478 . . . . 73.12 110.894 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 54.9 mt -63.66 -25.42 38.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 75.11 111.144 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -70.06 -59.46 2.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 72.15 110.91 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -57.58 -41.5 81.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 75.44 110.91 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -54.03 -66.6 0.37 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 72.31 110.893 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 58.0 p . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 74.55 111.135 -179.882 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.478 -0.249 . . . . 74.31 112.478 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.4 mp -95.51 -32.05 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.839 0.352 . . . . 72.1 111.15 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 58.7 mt -73.02 -25.36 21.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 75.25 111.133 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.76 -25.23 30.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 74.04 111.107 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -98.37 -19.96 21.57 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.749 -0.738 . . . . 72.41 112.469 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 9.2 tp -54.17 -32.5 23.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.774 0.321 . . . . 73.51 111.14 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 29.6 pt -75.15 -26.65 19.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 75.2 111.113 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 50.1 mttt -82.67 -17.57 44.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 72.04 110.893 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 22.2 t -104.82 -24.55 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.274 -0.421 . . . . 73.31 111.152 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 18.9 tt -51.71 -29.86 10.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 75.11 111.135 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? -72.14 -50.38 28.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 73.2 110.863 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 28.2 t -55.33 -32.67 62.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 74.31 110.842 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.2 -57.7 4.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 75.13 110.88 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 57.6 mt -60.91 -26.72 39.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 74.12 111.148 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -55.93 -69.92 0.13 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.471 . . . . 75.5 110.889 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -53.42 -28.74 31.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 71.34 110.868 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -65.96 -59.88 3.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 74.11 110.884 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.5 p . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 64.11 111.108 -179.888 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.486 -0.246 . . . . 63.33 112.486 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 33.9 mm -101.64 -25.35 3.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.839 0.352 . . . . 74.3 111.141 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 58.6 mt -71.66 -25.23 24.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 53.41 111.123 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.3 -26.51 30.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 74.1 111.152 179.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -97.61 -19.48 24.88 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.748 -0.739 . . . . 61.24 112.504 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 10.2 tp -54.56 -31.04 22.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.797 0.332 . . . . 75.23 111.071 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 29.6 pt -75.05 -26.68 19.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 75.32 111.166 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.8 ttmm -82.62 -17.6 44.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 75.34 110.918 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 47.7 t -104.89 -24.3 4.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 72.32 111.124 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 11.5 tt -51.72 -29.81 10.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 75.53 111.131 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 29.1 mmmt -72.18 -47.1 53.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 75.3 110.949 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.3 m -71.5 -26.47 62.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 75.42 110.901 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 23.3 tp -68.98 -48.84 62.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 74.54 110.864 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 53.4 mt -64.54 -25.21 37.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 74.0 111.101 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.23 -58.5 3.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 72.31 110.912 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -59.95 -39.9 87.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 70.43 110.891 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -54.41 -66.76 0.34 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 74.43 110.873 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 61.8 p . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 75.13 111.108 -179.924 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.469 -0.253 . . . . 75.21 112.469 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 44.5 mm -101.36 -26.96 3.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.771 0.319 . . . . 73.45 111.148 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 5.4 mp -88.83 -24.97 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 71.43 111.126 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.36 -24.98 34.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 73.44 111.078 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -97.0 -19.65 25.88 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.759 -0.734 . . . . 61.23 112.475 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 10.6 tp -54.73 -30.55 22.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.765 0.317 . . . . 74.0 111.085 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 29.5 pt -75.04 -26.72 19.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 74.44 111.17 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 27.3 ttpt -82.62 -17.59 44.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 74.54 110.914 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 62.5 t -104.89 -24.22 4.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 73.1 111.139 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 12.3 tt -51.88 -29.72 11.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 75.03 111.112 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.19 -46.94 54.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 75.04 110.902 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 44.2 t -71.64 -26.62 62.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 55.1 110.876 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 23.2 tp -68.83 -48.61 63.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 75.53 110.924 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 54.8 mt -65.11 -25.26 37.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 75.24 111.186 179.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -66.61 -60.6 2.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 74.22 110.867 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -60.02 -40.05 87.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 73.25 110.956 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -54.49 -64.82 0.71 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.453 . . . . 74.32 110.866 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 79.2 p . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.478 . . . . 72.2 111.156 -179.932 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.51 -0.236 . . . . 70.55 112.51 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 35.2 mm -98.71 -35.26 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.836 0.35 . . . . 75.12 111.136 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 5.4 mp -75.98 -25.21 16.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 75.52 111.137 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.24 -25.11 31.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 60.21 111.094 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -98.55 -19.79 21.68 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.739 -0.743 . . . . 70.34 112.474 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 9.9 tp -54.1 -32.28 22.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.809 0.338 . . . . 73.32 111.154 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 29.6 pt -75.37 -26.67 18.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 72.23 111.123 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 69.5 mttt -82.59 -17.62 44.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 73.54 110.912 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 57.9 t -104.89 -24.22 4.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 74.13 111.082 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 15.7 tt -51.86 -29.63 11.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 73.22 111.149 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.6 mptt -72.25 -47.09 52.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 74.25 110.902 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 67.0 m -71.49 -26.56 62.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 73.45 110.857 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 23.8 tp -68.1 -48.3 65.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 72.52 110.915 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 55.0 mt -64.59 -25.52 38.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 72.53 111.116 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -69.53 -58.88 3.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 71.13 110.888 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -58.23 -41.63 84.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 72.44 110.967 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -54.07 -66.85 0.32 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 75.14 110.911 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 70.8 p . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 73.45 111.155 -179.945 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.46 -0.256 . . . . 74.13 112.46 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 49.8 mm -117.17 -46.31 3.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.791 0.329 . . . . 73.22 111.143 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 5.0 mp -80.45 -25.23 11.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 74.34 111.117 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.8 -25.06 33.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 73.53 111.098 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -97.47 -19.74 24.48 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.735 -0.745 . . . . 70.12 112.501 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 10.7 tp -54.59 -31.12 23.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.803 0.335 . . . . 74.5 111.11 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 29.6 pt -75.06 -26.76 19.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 70.41 111.148 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 31.9 mttm -82.5 -17.63 44.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 72.14 110.929 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 71.5 t -105.0 -23.87 4.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 75.3 111.118 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.7 tt -52.14 -29.4 11.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 74.13 111.126 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -71.48 -46.62 59.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 72.21 110.896 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 75.4 m -63.83 -26.85 68.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 60.12 110.879 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -76.01 -57.74 3.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 75.52 110.912 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 55.3 mt -54.42 -29.67 20.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 74.51 111.116 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.5 tm-20 -63.36 -68.77 0.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 73.34 110.887 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -52.3 -40.98 62.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 74.05 110.898 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -52.71 -66.98 0.29 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 74.4 110.901 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 74.1 p . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.129 -0.487 . . . . 73.24 111.113 -179.874 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -171.49 -46.73 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 CA-C-N 115.209 -0.905 . . . . 60.34 112.495 178.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 39.0 mm -100.17 -31.28 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.761 0.315 . . . . 73.01 111.085 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 5.3 mp -73.5 -25.05 20.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 74.24 111.137 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.03 -25.0 32.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 74.44 111.121 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -100.49 -18.23 21.77 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.726 -0.75 . . . . 74.14 112.53 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 8.7 tp -53.99 -32.39 22.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.78 0.324 . . . . 65.35 111.129 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 29.6 pt -73.74 -27.7 23.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 71.31 111.155 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 41.0 mttt -80.43 -18.67 48.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 73.25 110.914 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 61.5 t -99.29 -42.08 10.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 73.52 111.129 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 15.5 tt -51.69 -30.39 11.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.126 -0.488 . . . . 72.21 111.109 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -71.76 -43.49 65.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 74.12 110.879 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.3 m -74.79 -26.59 59.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 71.23 110.873 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 31.9 tp -67.57 -44.69 77.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 74.43 110.944 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 54.0 mt -66.34 -25.24 34.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 75.13 111.116 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -68.96 -58.5 4.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 73.32 110.866 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -58.67 -38.64 78.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 73.31 110.96 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -58.27 -67.08 0.38 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 74.41 110.876 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 59.3 p -52.28 126.83 20.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 73.43 111.18 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -104.91 42.5 1.88 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.754 -0.736 . . . . 65.14 112.483 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.337 0 CA-C-O 120.767 0.318 . . . . 74.44 110.847 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 106.93 -73.43 0.21 Allowed Glycine 0 N--CA 1.451 -0.311 0 CA-C-N 115.173 -0.921 . . . . 55.42 112.478 178.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 38.7 mm -90.29 -28.41 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.815 0.341 . . . . 73.41 111.143 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 75.5 mt -73.53 -24.87 20.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 64.55 111.149 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.2 -25.05 32.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 64.34 111.092 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -101.07 -18.06 20.91 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.777 -0.725 . . . . 65.44 112.512 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 8.3 tp -52.88 -33.47 19.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.811 0.339 . . . . 74.23 111.176 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 27.6 pt -71.64 -30.62 39.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 71.34 111.145 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -77.85 -19.21 55.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 73.04 110.878 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 29.5 t -97.38 -45.12 12.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 71.23 111.099 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 20.7 tt -51.67 -30.35 11.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.189 -0.459 . . . . 64.4 111.161 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 61.2 mmtt -72.04 -41.64 67.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 74.13 110.869 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.9 t -76.27 -26.55 56.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 74.42 110.88 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 44.5 tp -68.57 -44.43 74.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.116 -0.493 . . . . 74.25 110.912 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 55.7 mt -67.46 -25.75 34.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.448 . . . . 71.43 111.126 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -70.26 -58.88 3.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 71.11 110.928 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -57.15 -41.87 79.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 73.34 110.876 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -54.56 -66.96 0.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 75.24 110.875 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 63.9 p -53.31 167.43 0.2 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 75.31 111.131 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -83.95 -38.9 9.8 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.715 -0.755 . . . . 43.31 112.444 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.2 mptt . . . . . 0 C--N 1.328 -0.327 0 CA-C-O 120.768 0.318 . . . . 72.4 110.839 -179.929 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 89.07 -47.05 3.32 Favored Glycine 0 N--CA 1.452 -0.291 0 CA-C-N 115.156 -0.929 . . . . 52.44 112.491 178.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.4 mp -92.62 -25.02 5.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.83 0.347 . . . . 73.25 111.136 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 28.1 mm -72.25 -24.44 22.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 73.32 111.132 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.82 -24.84 33.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 75.12 111.085 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -101.18 -18.43 19.56 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.787 -0.721 . . . . 74.52 112.461 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 8.5 tp -53.01 -33.16 19.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.82 0.343 . . . . 73.33 111.099 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 28.6 pt -71.84 -30.69 38.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 63.3 111.125 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.8 -19.18 55.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 73.12 110.885 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 39.4 t -97.41 -45.11 12.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.226 -0.443 . . . . 64.33 111.121 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 10.7 tp -51.67 -30.14 11.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 73.24 111.12 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -74.22 -51.53 15.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 74.3 110.916 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 34.3 p -56.84 -34.75 68.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 73.43 110.89 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.47 -58.53 4.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.103 -0.499 . . . . 63.41 110.963 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 56.4 mt -57.04 -27.81 27.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 74.5 111.107 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -61.14 -64.25 1.02 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 63.41 110.892 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -54.89 -29.24 55.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 71.32 110.968 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -71.79 -52.06 19.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 72.12 110.902 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 52.2 p -74.9 160.04 31.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 75.35 111.082 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -80.42 -62.23 2.09 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.741 -0.742 . . . . 75.24 112.509 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.9 mmmt . . . . . 0 C--N 1.329 -0.302 0 CA-C-O 120.765 0.317 . . . . 73.44 110.933 179.981 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 131.29 -22.07 4.49 Favored Glycine 0 N--CA 1.451 -0.358 0 CA-C-N 115.136 -0.938 . . . . 70.21 112.516 178.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 50.7 mm -116.04 -26.16 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.732 0.301 . . . . 74.41 111.093 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 70.6 mt -73.54 -24.74 20.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.226 -0.443 . . . . 75.13 111.118 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.12 -24.87 32.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 72.31 111.108 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -101.66 -17.74 20.49 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.751 -0.738 . . . . 73.43 112.496 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 8.1 tp -52.86 -33.58 19.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.833 0.349 . . . . 70.53 111.147 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 28.8 pt -71.64 -30.66 39.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 74.21 111.149 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 21.6 ttmt -77.62 -19.3 55.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 73.01 110.913 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 61.6 t -97.12 -45.4 12.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 75.31 111.154 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 6.9 tt -51.69 -30.26 11.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 74.5 111.106 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 53.1 mmtt -72.56 -38.83 67.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 74.31 110.917 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.0 m -70.13 -36.71 74.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 63.54 110.867 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -64.58 -27.21 68.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.099 -0.501 . . . . 74.45 110.922 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 49.2 mt -86.11 -35.65 9.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 74.33 111.163 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 20.4 tp10 -62.62 -43.29 99.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 73.43 110.928 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -71.98 -33.46 68.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 74.0 110.873 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -69.55 -62.18 1.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.436 . . . . 75.14 110.882 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 48.4 p -56.15 164.22 1.34 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.48 . . . . 70.43 111.134 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.79 -49.0 45.49 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.784 -0.722 . . . . 72.51 112.507 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.339 0 CA-C-O 120.813 0.34 . . . . 72.42 110.935 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 137.39 -27.25 2.88 Favored Glycine 0 N--CA 1.451 -0.341 0 CA-C-N 115.182 -0.917 . . . . 71.32 112.489 178.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 43.0 mm -91.98 -32.49 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.794 0.33 . . . . 75.31 111.092 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 5.3 mp -73.53 -24.88 20.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 73.23 111.113 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.09 -24.82 32.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 74.33 111.113 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -101.63 -17.63 20.88 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.682 -0.771 . . . . 73.52 112.529 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 8.1 tp -52.99 -33.52 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.847 0.356 . . . . 75.31 111.135 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 28.1 pt -71.62 -30.61 39.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 63.23 111.169 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.6 tttt -77.8 -19.22 55.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 74.21 110.887 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 57.3 t -97.22 -46.47 12.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 74.32 111.133 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 14.2 tt -51.71 -30.08 11.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 74.31 111.152 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.1 mtpp -82.68 -49.19 10.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 73.14 110.879 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 30.3 t -57.98 -35.1 70.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 73.21 110.846 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.23 -53.86 26.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 75.43 110.939 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 55.3 mt -60.28 -27.3 39.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 73.42 111.141 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -64.61 -61.41 2.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 73.55 110.913 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -56.66 -27.36 58.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 71.34 110.912 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -73.72 -51.98 14.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 74.15 110.907 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 52.5 p -75.27 112.87 11.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 74.01 111.112 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -85.29 53.68 4.79 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.719 -0.753 . . . . 71.3 112.482 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 32.5 mttp . . . . . 0 C--N 1.329 -0.302 0 CA-C-O 120.797 0.332 . . . . 74.11 110.949 -179.988 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 98.07 -19.74 53.3 Favored Glycine 0 N--CA 1.451 -0.345 0 CA-C-N 115.178 -0.919 . . . . 52.21 112.501 178.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 36.2 mm -105.23 -34.85 3.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.802 0.334 . . . . 74.15 111.173 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 73.6 mt -73.43 -25.04 20.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 75.55 111.174 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.69 -25.01 33.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 72.01 111.099 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -100.56 -18.22 21.62 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.753 -0.737 . . . . 73.34 112.504 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 9.1 tp -53.98 -32.58 22.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.748 0.309 . . . . 74.0 111.104 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 26.9 pt -73.51 -27.69 23.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 75.21 111.111 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 20.3 ttpp -80.53 -18.63 47.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 73.33 110.901 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 47.8 t -99.3 -42.78 11.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 75.32 111.14 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 10.9 tp -51.66 -30.37 11.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 65.2 111.129 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -74.05 -43.66 57.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 75.13 110.911 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.5 t -66.55 -26.7 67.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.216 -0.447 . . . . 75.12 110.853 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -75.92 -59.23 2.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 73.31 110.9 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 55.4 mt -55.64 -26.6 20.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 65.03 111.138 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.39 -63.12 1.27 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 71.42 110.89 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.43 -28.98 68.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 72.42 110.946 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -55.47 -64.55 0.81 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 73.11 110.856 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 43.8 p -52.36 134.45 34.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 72.11 111.152 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -106.73 -32.95 3.43 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.754 -0.736 . . . . 72.4 112.486 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 36.7 mtmt . . . . . 0 C--N 1.328 -0.333 0 CA-C-O 120.835 0.35 . . . . 74.13 110.907 -179.963 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 150.52 -38.84 0.87 Allowed Glycine 0 N--CA 1.451 -0.32 0 CA-C-N 115.16 -0.927 . . . . 73.13 112.495 178.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 43.5 mm -100.05 -34.73 4.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.781 0.324 . . . . 71.15 111.134 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 5.4 mp -76.23 -24.79 16.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 74.31 111.103 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.97 -24.91 32.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 71.44 111.12 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -99.94 -18.26 22.99 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.733 -0.746 . . . . 74.42 112.484 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 9.2 tp -54.03 -32.35 22.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.847 0.356 . . . . 73.22 111.165 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 29.4 pt -73.75 -27.54 23.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 73.41 111.137 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.7 mmpt? -80.68 -18.56 47.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 75.13 110.917 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 44.0 t -99.49 -42.53 10.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 75.3 111.099 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 20.2 tt -51.69 -30.06 11.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.457 . . . . 75.44 111.12 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.49 -43.86 30.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 75.12 110.876 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.9 m -64.18 -35.74 81.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 73.23 110.834 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.38 -56.88 7.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.108 -0.496 . . . . 75.22 110.895 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 60.7 mt -57.21 -26.13 24.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 75.11 111.144 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -64.22 -63.96 1.01 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 74.21 110.909 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -53.54 -29.0 34.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 73.12 110.903 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -70.9 -69.86 0.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 74.45 110.879 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 43.4 p -51.92 -49.11 63.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 74.53 111.109 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 71.04 31.73 66.49 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.772 -0.728 . . . . 54.41 112.49 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.8 ptpt . . . . . 0 C--N 1.328 -0.342 0 CA-C-O 120.793 0.33 . . . . 73.32 110.904 -179.97 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 103.88 -54.31 0.67 Allowed Glycine 0 N--CA 1.452 -0.282 0 CA-C-N 115.202 -0.908 . . . . 70.34 112.466 178.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 37.1 mm -95.89 -30.72 4.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.872 0.368 . . . . 74.41 111.179 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 5.4 mp -76.63 -24.7 15.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 73.22 111.116 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.9 -24.98 32.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 72.02 111.077 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -99.63 -18.51 23.01 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.774 -0.726 . . . . 64.23 112.529 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 9.3 tp -54.52 -29.5 20.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.77 0.319 . . . . 75.21 111.131 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 26.5 pt -76.16 -27.52 17.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 73.22 111.132 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.91 -18.44 47.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.14 -0.482 . . . . 74.44 110.936 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 60.3 t -99.7 -42.4 10.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 75.42 111.143 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 20.4 tt -51.7 -30.04 11.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 74.41 111.156 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 27.1 mmtp -71.12 -41.08 71.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 73.35 110.873 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.5 t -70.24 -26.53 63.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 53.44 110.862 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -72.45 -56.74 4.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.11 -0.496 . . . . 70.23 110.935 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 56.1 mt -54.54 -29.98 21.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 74.34 111.121 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -66.17 -58.54 5.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 70.23 110.854 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -65.19 -30.31 71.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 70.45 110.885 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -57.43 -65.12 0.68 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 73.2 110.896 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 30.4 p -57.12 -37.39 71.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 65.32 111.166 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 129.32 -28.38 4.06 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.741 -0.743 . . . . 53.24 112.477 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.0 pttp . . . . . 0 C--N 1.328 -0.334 0 CA-C-O 120.775 0.321 . . . . 74.44 110.91 -179.926 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 105.41 -26.27 22.16 Favored Glycine 0 N--CA 1.451 -0.335 0 CA-C-N 115.132 -0.94 . . . . 74.13 112.521 178.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 33.5 mm -115.23 -25.28 3.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.797 0.332 . . . . 74.42 111.114 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 5.3 mp -99.65 -24.69 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 73.24 111.147 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.83 -24.86 30.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 50.21 111.102 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -97.92 -18.47 27.14 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.675 -0.774 . . . . 72.01 112.485 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 9.7 tp -53.97 -31.88 21.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.835 0.35 . . . . 73.24 111.129 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 28.9 pt -73.76 -28.15 23.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 74.12 111.092 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.8 ttmm -80.62 -18.35 48.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 75.02 110.885 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 71.9 t -99.66 -42.69 10.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.24 -0.436 . . . . 74.01 111.105 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 11.9 tt -51.73 -30.35 11.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 73.22 111.118 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.0 mmmt -68.22 -38.83 82.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 75.51 110.935 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.2 t -68.21 -38.05 81.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 74.21 110.888 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -66.43 -49.34 67.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 75.13 110.949 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 68.1 mt -65.12 -31.23 53.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 74.31 111.166 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -57.21 -70.2 0.13 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 73.14 110.85 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.66 -30.76 33.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 75.24 110.894 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -63.91 -59.01 5.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 74.04 110.869 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 31.1 p -68.19 150.71 47.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 74.54 111.113 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -166.35 54.49 0.25 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.727 -0.749 . . . . 71.41 112.448 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.1 pptp? . . . . . 0 C--N 1.328 -0.332 0 CA-C-O 120.797 0.332 . . . . 74.14 110.887 179.997 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 79.33 -57.85 4.4 Favored Glycine 0 N--CA 1.451 -0.324 0 CA-C-N 115.219 -0.901 . . . . 71.31 112.46 178.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 35.3 mm -89.6 -25.02 5.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.82 0.343 . . . . 74.24 111.115 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 45.2 mm -67.43 -24.45 31.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 74.5 111.129 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.64 -24.87 31.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.481 . . . . 74.12 111.151 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -97.86 -19.17 25.19 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.719 -0.753 . . . . 73.23 112.499 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 9.5 tp -54.38 -30.96 21.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.789 0.328 . . . . 74.12 111.147 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 29.1 pt -74.76 -27.36 20.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 70.25 111.104 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.2 ttmt -81.27 -18.27 46.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 74.42 110.906 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 67.2 t -100.26 -41.69 9.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 71.53 111.125 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 10.4 tp -51.66 -30.35 11.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 65.33 111.114 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 30.7 mmtp -75.09 -44.51 47.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 75.42 110.954 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.7 m -67.29 -29.87 69.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 74.21 110.896 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.5 mt -64.66 -51.02 64.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.081 -0.509 . . . . 74.21 110.852 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 55.1 mt -52.08 -40.68 30.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 73.44 111.13 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -60.63 -61.01 2.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 72.01 110.926 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -58.23 -28.69 65.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 75.25 110.949 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -71.05 -48.74 51.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 74.11 110.897 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 34.9 p -81.03 115.35 20.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 72.33 111.154 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -132.4 29.03 3.37 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.749 -0.739 . . . . 71.41 112.455 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.1 mttt . . . . . 0 C--N 1.328 -0.349 0 CA-C-O 120.812 0.339 . . . . 74.55 110.867 -179.97 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 146.62 -24.49 1.66 Allowed Glycine 0 N--CA 1.451 -0.358 0 CA-C-N 115.196 -0.911 . . . . 72.53 112.496 178.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 27.5 mm -107.72 -44.18 6.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.827 0.346 . . . . 71.4 111.126 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 5.3 mp -80.49 -25.3 11.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 72.34 111.115 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.98 -25.29 37.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 74.44 111.071 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -97.69 -22.92 14.8 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.765 -0.731 . . . . 70.2 112.464 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 10.4 tp -52.47 -28.99 12.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.794 0.33 . . . . 74.01 111.104 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 26.6 pt -87.82 -27.56 5.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 75.24 111.098 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 43.7 mttt -97.99 18.46 15.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 73.21 110.894 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 84.6 t -135.88 -41.25 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 74.23 111.155 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.8 tp -51.76 -31.7 13.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 75.51 111.14 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.8 mttt -70.54 -41.85 71.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 75.42 110.873 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 9.6 p -76.06 -26.76 56.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 73.1 110.866 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 40.1 tp -67.77 -43.05 80.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 72.14 110.896 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 56.6 mt -68.48 -27.44 36.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 75.32 111.1 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -67.26 -59.32 3.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 64.12 110.877 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -57.9 -41.02 81.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 64.22 110.894 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -54.54 -66.92 0.32 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 74.51 110.894 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 65.1 p -52.81 156.21 2.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.125 -0.489 . . . . 71.21 111.139 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -105.64 -32.92 3.73 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.72 -0.753 . . . . 70.41 112.508 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 28.9 mmmt . . . . . 0 C--N 1.329 -0.314 0 CA-C-O 120.782 0.325 . . . . 75.34 110.862 -179.931 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 110.88 -25.54 14.29 Favored Glycine 0 N--CA 1.452 -0.263 0 CA-C-N 115.167 -0.924 . . . . 53.44 112.469 178.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 44.4 mm -105.59 -47.01 9.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.799 0.333 . . . . 74.33 111.152 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 5.4 mp -79.11 -25.05 12.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 73.4 111.095 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.08 -25.09 32.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 70.15 111.068 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -97.84 -19.89 23.11 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.741 -0.743 . . . . 74.43 112.497 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 10.1 tp -54.37 -31.84 23.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.807 0.337 . . . . 75.15 111.115 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.3 pp -75.11 -26.57 19.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 64.5 111.152 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.4 mtpm? -82.56 -17.66 44.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 73.31 110.918 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 43.8 t -105.04 -24.15 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 75.53 111.132 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 10.7 tp -51.77 -29.82 11.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 75.02 111.144 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.14 -47.38 51.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.47 . . . . 71.31 110.904 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 46.1 t -70.97 -26.65 63.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 70.33 110.878 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 26.5 tp -67.92 -48.73 65.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.115 -0.493 . . . . 74.14 110.928 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 54.1 mt -63.62 -26.27 40.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 73.12 111.095 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -68.46 -60.94 2.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 73.51 110.945 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -55.68 -41.79 74.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.489 . . . . 61.41 110.949 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -54.8 -68.06 0.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 75.01 110.86 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 69.9 p -52.2 152.75 3.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 74.44 111.126 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -112.37 -27.8 3.77 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.668 -0.777 . . . . 65.25 112.504 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 43.3 mttm . . . . . 0 C--N 1.329 -0.323 0 CA-C-O 120.776 0.322 . . . . 74.35 110.896 -180.0 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 132.87 -32.67 2.74 Favored Glycine 0 N--CA 1.451 -0.308 0 CA-C-N 115.192 -0.913 . . . . 75.2 112.483 178.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.4 mp -101.36 -47.76 11.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.824 0.345 . . . . 74.14 111.119 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 5.3 mp -74.41 -25.38 19.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 70.11 111.089 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.87 -25.01 30.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 72.01 111.094 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -98.86 -19.56 21.64 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.729 -0.748 . . . . 65.21 112.495 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 9.4 tp -54.05 -32.93 23.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.832 0.348 . . . . 73.33 111.148 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.3 pp -75.31 -26.58 18.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 75.43 111.079 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.9 ttpp -82.62 -17.62 44.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 70.52 110.861 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 62.0 t -104.92 -24.24 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 72.54 111.158 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 20.8 tt -51.72 -29.82 10.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 73.04 111.135 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -75.15 -48.37 23.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 74.31 110.863 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 49.4 m -57.02 -35.72 69.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 73.22 110.839 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.03 -58.89 3.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.098 -0.501 . . . . 63.04 110.892 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 56.2 mt -59.77 -25.34 31.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 71.33 111.11 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 53.8 tt0 -57.71 -69.86 0.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 63.42 110.897 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -53.98 -29.01 41.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 74.15 110.866 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -65.86 -65.94 0.61 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 71.13 110.861 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 31.2 p -58.75 -28.37 65.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 72.21 111.178 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 109.24 -47.05 1.08 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.777 -0.725 . . . . 74.32 112.533 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.3 mtpp . . . . . 0 C--N 1.328 -0.354 0 CA-C-O 120.828 0.347 . . . . 75.13 110.91 -179.999 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 150.51 -24.57 1.07 Allowed Glycine 0 N--CA 1.452 -0.291 0 CA-C-N 115.151 -0.931 . . . . 64.14 112.47 178.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.4 mp -104.04 -47.5 10.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.81 0.338 . . . . 75.14 111.136 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 5.3 mp -75.06 -25.07 18.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 73.13 111.142 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -84.31 -25.03 29.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 62.12 111.08 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -98.51 -19.37 23.08 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.746 -0.74 . . . . 75.33 112.466 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 9.6 tp -54.09 -32.73 23.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.802 0.334 . . . . 74.4 111.157 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.1 pp -75.13 -26.62 19.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 72.42 111.116 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.8 ttpt -82.66 -17.61 43.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 75.13 110.83 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 57.9 t -104.96 -24.27 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 73.44 111.12 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.0 tt -51.72 -29.84 10.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 72.21 111.169 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.3 mttt -75.32 -59.32 2.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 73.32 110.886 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 74.7 m -56.97 -29.74 63.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 65.24 110.827 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 57.7 tp -70.47 -59.5 2.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 73.13 110.877 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 61.0 mt -59.62 -26.69 35.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 72.15 111.128 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 -55.25 -71.27 0.09 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 75.21 110.918 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.26 -30.21 26.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 73.24 110.911 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -65.1 -54.62 27.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 74.21 110.861 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 31.0 p -74.84 172.78 11.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 73.34 111.164 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -152.25 64.99 0.36 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.711 -0.757 . . . . 72.13 112.459 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp . . . . . 0 C--N 1.328 -0.334 0 CA-C-O 120.767 0.318 . . . . 73.11 110.891 179.982 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 130.14 -19.7 5.13 Favored Glycine 0 N--CA 1.452 -0.298 0 CA-C-N 115.164 -0.926 . . . . 62.01 112.497 178.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 40.3 mm -97.49 -25.61 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.786 0.327 . . . . 72.12 111.122 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 5.1 mp -98.63 -25.15 4.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 73.45 111.102 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.37 -25.06 34.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 73.42 111.072 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -97.28 -19.77 24.85 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.724 -0.751 . . . . 64.3 112.458 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 10.7 tp -54.62 -30.79 22.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.762 0.315 . . . . 75.03 111.127 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 29.7 pt -75.08 -26.73 19.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 73.4 111.081 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.2 ttpp -82.58 -17.63 44.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 73.44 110.868 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 48.7 t -104.91 -24.21 4.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 63.22 111.151 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 17.5 tt -51.82 -29.77 11.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 74.21 111.118 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.2 tppt? -72.41 -48.22 43.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 74.52 110.923 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 59.5 m -70.24 -26.47 63.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 74.11 110.863 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 25.6 tp -68.28 -49.61 59.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.478 . . . . 73.12 110.894 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 54.9 mt -63.66 -25.42 38.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 75.11 111.144 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -70.06 -59.46 2.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 72.15 110.91 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -57.58 -41.5 81.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 75.44 110.91 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -54.03 -66.6 0.37 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 72.31 110.893 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 58.0 p -53.15 152.88 3.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 74.55 111.135 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -164.57 48.26 0.29 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.766 -0.73 . . . . 63.24 112.502 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 120.815 0.34 . . . . 74.13 110.88 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 141.96 -46.13 0.9 Allowed Glycine 0 N--CA 1.452 -0.298 0 CA-C-N 115.165 -0.925 . . . . 74.31 112.478 178.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.4 mp -95.51 -32.05 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.839 0.352 . . . . 72.1 111.15 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 58.7 mt -73.02 -25.36 21.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 75.25 111.133 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.76 -25.23 30.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 74.04 111.107 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -98.37 -19.96 21.57 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.749 -0.738 . . . . 72.41 112.469 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 9.2 tp -54.17 -32.5 23.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.774 0.321 . . . . 73.51 111.14 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 29.6 pt -75.15 -26.65 19.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 75.2 111.113 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 50.1 mttt -82.67 -17.57 44.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 72.04 110.893 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 22.2 t -104.82 -24.55 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.274 -0.421 . . . . 73.31 111.152 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 18.9 tt -51.71 -29.86 10.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 75.11 111.135 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? -72.14 -50.38 28.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 73.2 110.863 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 28.2 t -55.33 -32.67 62.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 74.31 110.842 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.2 -57.7 4.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 75.13 110.88 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 57.6 mt -60.91 -26.72 39.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 74.12 111.148 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -55.93 -69.92 0.13 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.471 . . . . 75.5 110.889 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -53.42 -28.74 31.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 71.34 110.868 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -65.96 -59.88 3.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 74.11 110.884 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.5 p -69.89 -179.24 1.78 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 64.11 111.108 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -163.23 -44.2 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.709 -0.758 . . . . 74.32 112.463 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.3 pttp . . . . . 0 C--N 1.329 -0.296 0 CA-C-O 120.756 0.313 . . . . 75.02 110.922 -179.983 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 141.26 -24.67 2.52 Favored Glycine 0 N--CA 1.451 -0.361 0 CA-C-N 115.219 -0.901 . . . . 63.33 112.486 178.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 33.9 mm -101.64 -25.35 3.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.839 0.352 . . . . 74.3 111.141 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 58.6 mt -71.66 -25.23 24.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 53.41 111.123 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.3 -26.51 30.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 74.1 111.152 179.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -97.61 -19.48 24.88 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.748 -0.739 . . . . 61.24 112.504 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 10.2 tp -54.56 -31.04 22.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.797 0.332 . . . . 75.23 111.071 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 29.6 pt -75.05 -26.68 19.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 75.32 111.166 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.8 ttmm -82.62 -17.6 44.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 75.34 110.918 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 47.7 t -104.89 -24.3 4.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 72.32 111.124 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 11.5 tt -51.72 -29.81 10.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 75.53 111.131 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 29.1 mmmt -72.18 -47.1 53.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 75.3 110.949 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.3 m -71.5 -26.47 62.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 75.42 110.901 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 23.3 tp -68.98 -48.84 62.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 74.54 110.864 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 53.4 mt -64.54 -25.21 37.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 74.0 111.101 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.23 -58.5 3.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 72.31 110.912 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -59.95 -39.9 87.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 70.43 110.891 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -54.41 -66.76 0.34 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 74.43 110.873 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 61.8 p -52.17 121.78 7.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 75.13 111.108 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -72.28 -37.38 59.28 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.754 -0.736 . . . . 62.03 112.46 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 40.7 mttm . . . . . 0 C--N 1.329 -0.323 0 CA-C-O 120.831 0.348 . . . . 75.43 110.853 -179.9 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 104.02 -19.75 42.76 Favored Glycine 0 N--CA 1.451 -0.334 0 CA-C-N 115.161 -0.927 . . . . 75.21 112.469 178.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 44.5 mm -101.36 -26.96 3.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.771 0.319 . . . . 73.45 111.148 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 5.4 mp -88.83 -24.97 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 71.43 111.126 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.36 -24.98 34.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 73.44 111.078 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -97.0 -19.65 25.88 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.759 -0.734 . . . . 61.23 112.475 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 10.6 tp -54.73 -30.55 22.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.765 0.317 . . . . 74.0 111.085 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 29.5 pt -75.04 -26.72 19.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 74.44 111.17 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 27.3 ttpt -82.62 -17.59 44.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 74.54 110.914 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 62.5 t -104.89 -24.22 4.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 73.1 111.139 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 12.3 tt -51.88 -29.72 11.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 75.03 111.112 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.19 -46.94 54.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 75.04 110.902 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 44.2 t -71.64 -26.62 62.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 55.1 110.876 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 23.2 tp -68.83 -48.61 63.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 75.53 110.924 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 54.8 mt -65.11 -25.26 37.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 75.24 111.186 179.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -66.61 -60.6 2.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 74.22 110.867 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -60.02 -40.05 87.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 73.25 110.956 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -54.49 -64.82 0.71 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.453 . . . . 74.32 110.866 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 79.2 p -52.58 160.37 0.88 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.478 . . . . 72.2 111.156 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -74.62 -31.35 58.72 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.772 -0.728 . . . . 71.25 112.489 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 18.1 pttp . . . . . 0 C--N 1.328 -0.336 0 CA-C-O 120.822 0.344 . . . . 64.23 110.906 179.996 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 147.75 -19.73 1.46 Allowed Glycine 0 N--CA 1.452 -0.294 0 CA-C-N 115.203 -0.908 . . . . 70.55 112.51 178.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 35.2 mm -98.71 -35.26 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.836 0.35 . . . . 75.12 111.136 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 5.4 mp -75.98 -25.21 16.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 75.52 111.137 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.24 -25.11 31.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 60.21 111.094 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -98.55 -19.79 21.68 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.739 -0.743 . . . . 70.34 112.474 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 9.9 tp -54.1 -32.28 22.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.809 0.338 . . . . 73.32 111.154 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 29.6 pt -75.37 -26.67 18.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 72.23 111.123 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 69.5 mttt -82.59 -17.62 44.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 73.54 110.912 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 57.9 t -104.89 -24.22 4.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 74.13 111.082 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 15.7 tt -51.86 -29.63 11.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 73.22 111.149 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.6 mptt -72.25 -47.09 52.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 74.25 110.902 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 67.0 m -71.49 -26.56 62.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 73.45 110.857 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 23.8 tp -68.1 -48.3 65.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 72.52 110.915 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 55.0 mt -64.59 -25.52 38.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 72.53 111.116 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -69.53 -58.88 3.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 71.13 110.888 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -58.23 -41.63 84.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 72.44 110.967 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -54.07 -66.85 0.32 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 75.14 110.911 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 70.8 p -52.2 120.87 5.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 73.45 111.155 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -53.45 -26.55 30.78 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.813 -0.708 . . . . 64.43 112.442 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 42.8 mtpt . . . . . 0 C--N 1.328 -0.35 0 CA-C-O 120.758 0.313 . . . . 73.51 110.882 -179.946 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 129.82 -33.47 2.95 Favored Glycine 0 N--CA 1.451 -0.312 0 CA-C-N 115.191 -0.913 . . . . 74.13 112.46 178.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 49.8 mm -117.17 -46.31 3.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.791 0.329 . . . . 73.22 111.143 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 5.0 mp -80.45 -25.23 11.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 74.34 111.117 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.8 -25.06 33.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 73.53 111.098 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -97.47 -19.74 24.48 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.735 -0.745 . . . . 70.12 112.501 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 10.7 tp -54.59 -31.12 23.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.803 0.335 . . . . 74.5 111.11 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 29.6 pt -75.06 -26.76 19.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 70.41 111.148 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 31.9 mttm -82.5 -17.63 44.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 72.14 110.929 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 71.5 t -105.0 -23.87 4.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 75.3 111.118 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.7 tt -52.14 -29.4 11.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 74.13 111.126 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -71.48 -46.62 59.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 72.21 110.896 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 75.4 m -63.83 -26.85 68.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 60.12 110.879 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -76.01 -57.74 3.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 75.52 110.912 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 55.3 mt -54.42 -29.67 20.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 74.51 111.116 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.5 tm-20 -63.36 -68.77 0.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 73.34 110.887 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -52.3 -40.98 62.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 74.05 110.898 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -52.71 -66.98 0.29 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 74.4 110.901 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 74.1 p -52.4 147.28 8.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.129 -0.487 . . . . 73.24 111.113 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -92.88 41.44 2.72 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.783 -0.722 . . . . 74.41 112.503 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 28.5 mtmt . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 120.77 0.319 . . . . 75.44 110.879 -179.939 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.495 -0.242 . . . . 60.34 112.495 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 39.0 mm -100.17 -31.28 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.761 0.315 . . . . 73.01 111.085 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.617 ' O ' HG22 ' A' ' 7' ' ' ILE . 5.3 mp -73.5 -25.05 20.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 53.11 111.137 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.03 -25.0 32.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 74.44 111.121 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -100.49 -18.23 21.77 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.726 -0.75 . . . . 72.21 112.53 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.617 HG22 ' O ' ' A' ' 4' ' ' ILE . 8.7 tp -53.99 -32.39 22.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.78 0.324 . . . . 63.11 111.129 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 29.6 pt -73.74 -27.7 23.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 54.41 111.155 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 41.0 mttt -80.43 -18.67 48.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 73.25 110.914 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 61.5 t -99.29 -42.08 10.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 55.33 111.129 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 15.5 tt -51.69 -30.39 11.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.126 -0.488 . . . . 72.21 111.109 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -71.76 -43.49 65.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 72.32 110.879 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.3 m -74.79 -26.59 59.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 71.23 110.873 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 31.9 tp -67.57 -44.69 77.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 74.43 110.944 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 54.0 mt -66.34 -25.24 34.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 70.4 111.116 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -68.96 -58.5 4.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 73.32 110.866 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -58.67 -38.64 78.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 73.31 110.96 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -58.27 -67.08 0.38 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 74.41 110.876 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 59.3 p . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 42.4 111.18 -179.914 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.478 -0.249 . . . . 43.21 112.478 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 38.7 mm -90.29 -28.41 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.815 0.341 . . . . 73.41 111.143 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.608 ' O ' HG22 ' A' ' 7' ' ' ILE . 75.5 mt -73.53 -24.87 20.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 64.55 111.149 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.2 -25.05 32.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 64.34 111.092 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -101.07 -18.06 20.91 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.777 -0.725 . . . . 65.44 112.512 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.608 HG22 ' O ' ' A' ' 4' ' ' ILE . 8.3 tp -52.88 -33.47 19.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.811 0.339 . . . . 55.31 111.176 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.414 ' HA ' HG22 ' A' ' 11' ' ' ILE . 27.6 pt -71.64 -30.62 39.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 64.51 111.145 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -77.85 -19.21 55.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 62.44 110.878 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 29.5 t -97.38 -45.12 12.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 54.52 111.099 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.414 HG22 ' HA ' ' A' ' 8' ' ' ILE . 20.7 tt -51.67 -30.35 11.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.189 -0.459 . . . . 64.4 111.161 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 61.2 mmtt -72.04 -41.64 67.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 64.21 110.869 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.9 t -76.27 -26.55 56.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 73.22 110.88 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 44.5 tp -68.57 -44.43 74.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.116 -0.493 . . . . 74.25 110.912 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 55.7 mt -67.46 -25.75 34.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.448 . . . . 71.43 111.126 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -70.26 -58.88 3.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 55.02 110.928 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -57.15 -41.87 79.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 73.34 110.876 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -54.56 -66.96 0.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 74.05 110.875 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 63.9 p . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 63.22 111.131 -179.919 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.491 -0.243 . . . . 52.44 112.491 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.4 mp -92.62 -25.02 5.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.83 0.347 . . . . 73.25 111.136 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.612 ' O ' HG22 ' A' ' 7' ' ' ILE . 28.1 mm -72.25 -24.44 22.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 73.32 111.132 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.82 -24.84 33.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 52.32 111.085 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -101.18 -18.43 19.56 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.787 -0.721 . . . . 74.52 112.461 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.612 HG22 ' O ' ' A' ' 4' ' ' ILE . 8.5 tp -53.01 -33.16 19.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.82 0.343 . . . . 73.33 111.099 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.419 ' HA ' HG22 ' A' ' 11' ' ' ILE . 28.6 pt -71.84 -30.69 38.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 63.3 111.125 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.8 -19.18 55.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 64.24 110.885 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 39.4 t -97.41 -45.11 12.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.226 -0.443 . . . . 55.5 111.121 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.419 HG22 ' HA ' ' A' ' 8' ' ' ILE . 10.7 tp -51.67 -30.14 11.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 73.24 111.12 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -74.22 -51.53 15.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 74.3 110.916 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 34.3 p -56.84 -34.75 68.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 73.43 110.89 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.47 -58.53 4.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.103 -0.499 . . . . 34.4 110.963 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.413 ' O ' HG23 ' A' ' 19' ' ' THR . 56.4 mt -57.04 -27.81 27.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 61.5 111.107 179.805 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -61.14 -64.25 1.02 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 51.11 110.892 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -54.89 -29.24 55.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 54.42 110.968 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -71.79 -52.06 19.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 72.12 110.902 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.413 HG23 ' O ' ' A' ' 15' ' ' ILE . 52.2 p . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 75.35 111.082 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.516 -0.234 . . . . 70.21 112.516 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 50.7 mm -116.04 -26.16 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.732 0.301 . . . . 65.21 111.093 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.614 ' O ' HG22 ' A' ' 7' ' ' ILE . 70.6 mt -73.54 -24.74 20.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.226 -0.443 . . . . 75.04 111.118 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.12 -24.87 32.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 70.41 111.108 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -101.66 -17.74 20.49 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.751 -0.738 . . . . 73.43 112.496 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.614 HG22 ' O ' ' A' ' 4' ' ' ILE . 8.1 tp -52.86 -33.58 19.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.833 0.349 . . . . 70.53 111.147 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.415 ' HA ' HG22 ' A' ' 11' ' ' ILE . 28.8 pt -71.64 -30.66 39.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 74.21 111.149 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 21.6 ttmt -77.62 -19.3 55.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 71.11 110.913 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 61.6 t -97.12 -45.4 12.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 75.31 111.154 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.415 HG22 ' HA ' ' A' ' 8' ' ' ILE . 6.9 tt -51.69 -30.26 11.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 74.5 111.106 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 53.1 mmtt -72.56 -38.83 67.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 73.32 110.917 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.0 m -70.13 -36.71 74.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 34.14 110.867 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -64.58 -27.21 68.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.099 -0.501 . . . . 74.45 110.922 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 49.2 mt -86.11 -35.65 9.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 65.21 111.163 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 20.4 tp10 -62.62 -43.29 99.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 73.43 110.928 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -71.98 -33.46 68.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 74.0 110.873 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -69.55 -62.18 1.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.436 . . . . 72.41 110.882 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 48.4 p . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.48 . . . . 70.43 111.134 -179.931 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.489 -0.244 . . . . 71.32 112.489 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 43.0 mm -91.98 -32.49 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.794 0.33 . . . . 73.43 111.092 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.608 ' O ' HG22 ' A' ' 7' ' ' ILE . 5.3 mp -73.53 -24.88 20.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 63.03 111.113 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.09 -24.82 32.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 74.33 111.113 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -101.63 -17.63 20.88 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.682 -0.771 . . . . 73.52 112.529 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.608 HG22 ' O ' ' A' ' 4' ' ' ILE . 8.1 tp -52.99 -33.52 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.847 0.356 . . . . 75.31 111.135 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.417 ' HA ' HG22 ' A' ' 11' ' ' ILE . 28.1 pt -71.62 -30.61 39.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 53.21 111.169 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.6 tttt -77.8 -19.22 55.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 74.21 110.887 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 57.3 t -97.22 -46.47 12.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 74.32 111.133 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.417 HG22 ' HA ' ' A' ' 8' ' ' ILE . 14.2 tt -51.71 -30.08 11.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 74.31 111.152 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.1 mtpp -82.68 -49.19 10.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 73.14 110.879 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 30.3 t -57.98 -35.1 70.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 71.22 110.846 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.23 -53.86 26.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 54.54 110.939 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.401 ' O ' HG23 ' A' ' 19' ' ' THR . 55.3 mt -60.28 -27.3 39.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 43.1 111.141 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -64.61 -61.41 2.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 64.11 110.913 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -56.66 -27.36 58.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 71.2 110.912 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -73.72 -51.98 14.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 74.15 110.907 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.401 HG23 ' O ' ' A' ' 15' ' ' ILE . 52.5 p . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 74.01 111.112 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.501 -0.24 . . . . 50.01 112.501 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 36.2 mm -105.23 -34.85 3.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.802 0.334 . . . . 71.43 111.173 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.621 ' O ' HG22 ' A' ' 7' ' ' ILE . 73.6 mt -73.43 -25.04 20.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 65.31 111.174 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.69 -25.01 33.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 72.01 111.099 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -100.56 -18.22 21.62 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.753 -0.737 . . . . 73.34 112.504 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.621 HG22 ' O ' ' A' ' 4' ' ' ILE . 9.1 tp -53.98 -32.58 22.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.748 0.309 . . . . 74.0 111.104 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 26.9 pt -73.51 -27.69 23.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 75.21 111.111 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 20.3 ttpp -80.53 -18.63 47.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 72.01 110.901 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.644 HG12 HD23 ' A' ' 14' ' ' LEU . 47.8 t -99.3 -42.78 11.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 72.12 111.14 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 10.9 tp -51.66 -30.37 11.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 64.55 111.129 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -74.05 -43.66 57.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 74.12 110.911 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.5 t -66.55 -26.7 67.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.216 -0.447 . . . . 75.12 110.853 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.644 HD23 HG12 ' A' ' 10' ' ' VAL . 2.6 mm? -75.92 -59.23 2.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 65.23 110.9 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 55.4 mt -55.64 -26.6 20.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 51.13 111.138 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.39 -63.12 1.27 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 63.45 110.89 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.43 -28.98 68.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 72.42 110.946 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.572 ' CE2' HD12 ' A' ' 14' ' ' LEU . 1.9 m-85 -55.47 -64.55 0.81 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 61.21 110.856 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 43.8 p . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 72.11 111.152 -179.929 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.495 -0.242 . . . . 63.04 112.495 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 43.5 mm -100.05 -34.73 4.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.781 0.324 . . . . 63.43 111.134 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.628 ' O ' HG22 ' A' ' 7' ' ' ILE . 5.4 mp -76.23 -24.79 16.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 72.21 111.103 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.97 -24.91 32.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 71.44 111.12 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -99.94 -18.26 22.99 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.733 -0.746 . . . . 74.42 112.484 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.628 HG22 ' O ' ' A' ' 4' ' ' ILE . 9.2 tp -54.03 -32.35 22.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.847 0.356 . . . . 73.22 111.165 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 29.4 pt -73.75 -27.54 23.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 45.24 111.137 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.7 mmpt? -80.68 -18.56 47.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 54.13 110.917 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 44.0 t -99.49 -42.53 10.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 75.3 111.099 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 20.2 tt -51.69 -30.06 11.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.457 . . . . 72.42 111.12 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.49 -43.86 30.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 72.4 110.876 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.9 m -64.18 -35.74 81.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 72.13 110.834 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.38 -56.88 7.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.108 -0.496 . . . . 75.22 110.895 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 60.7 mt -57.21 -26.13 24.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 73.14 111.144 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -64.22 -63.96 1.01 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 63.43 110.909 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -53.54 -29.0 34.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 73.12 110.903 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -70.9 -69.86 0.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 74.45 110.879 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 43.4 p . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 74.53 111.109 -179.923 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.466 -0.254 . . . . 70.34 112.466 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 37.1 mm -95.89 -30.72 4.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.872 0.368 . . . . 74.25 111.179 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.628 ' O ' HG22 ' A' ' 7' ' ' ILE . 5.4 mp -76.63 -24.7 15.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 73.12 111.116 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.9 -24.98 32.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 53.32 111.077 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -99.63 -18.51 23.01 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.774 -0.726 . . . . 61.11 112.529 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.628 HG22 ' O ' ' A' ' 4' ' ' ILE . 9.3 tp -54.52 -29.5 20.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.77 0.319 . . . . 61.12 111.131 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 26.5 pt -76.16 -27.52 17.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 73.22 111.132 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.91 -18.44 47.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.14 -0.482 . . . . 74.44 110.936 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.648 HG12 HD23 ' A' ' 14' ' ' LEU . 60.3 t -99.7 -42.4 10.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 73.21 111.143 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 20.4 tt -51.7 -30.04 11.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 73.14 111.156 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 27.1 mmtp -71.12 -41.08 71.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 73.31 110.873 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.5 t -70.24 -26.53 63.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 42.4 110.862 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.648 HD23 HG12 ' A' ' 10' ' ' VAL . 3.5 mm? -72.45 -56.74 4.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.11 -0.496 . . . . 62.02 110.935 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 56.1 mt -54.54 -29.98 21.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 74.14 111.121 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -66.17 -58.54 5.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 60.02 110.854 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -65.19 -30.31 71.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 70.45 110.885 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.454 ' CE2' HD12 ' A' ' 14' ' ' LEU . 2.6 m-85 -57.43 -65.12 0.68 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 73.2 110.896 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 30.4 p . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 65.32 111.166 -179.97 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.521 -0.232 . . . . 72.13 112.521 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 33.5 mm -115.23 -25.28 3.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.797 0.332 . . . . 73.41 111.114 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.621 ' O ' HG22 ' A' ' 7' ' ' ILE . 5.3 mp -99.65 -24.69 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 73.24 111.147 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.83 -24.86 30.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 35.31 111.102 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -97.92 -18.47 27.14 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.675 -0.774 . . . . 72.01 112.485 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.621 HG22 ' O ' ' A' ' 4' ' ' ILE . 9.7 tp -53.97 -31.88 21.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.835 0.35 . . . . 64.2 111.129 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 28.9 pt -73.76 -28.15 23.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 64.53 111.092 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.8 ttmm -80.62 -18.35 48.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 50.2 110.885 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 71.9 t -99.66 -42.69 10.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.24 -0.436 . . . . 72.2 111.105 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 11.9 tt -51.73 -30.35 11.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 73.22 111.118 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.0 mmmt -68.22 -38.83 82.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 75.51 110.935 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.2 t -68.21 -38.05 81.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 74.21 110.888 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -66.43 -49.34 67.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 75.13 110.949 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 68.1 mt -65.12 -31.23 53.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 74.31 111.166 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -57.21 -70.2 0.13 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 73.14 110.85 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.66 -30.76 33.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 75.24 110.894 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -63.91 -59.01 5.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 74.04 110.869 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 31.1 p . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 45.23 111.113 -179.902 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.46 -0.256 . . . . 71.31 112.46 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 35.3 mm -89.6 -25.02 5.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.82 0.343 . . . . 74.24 111.115 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.629 ' O ' HG22 ' A' ' 7' ' ' ILE . 45.2 mm -67.43 -24.45 31.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 73.43 111.129 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.64 -24.87 31.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.481 . . . . 35.15 111.151 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -97.86 -19.17 25.19 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.719 -0.753 . . . . 73.23 112.499 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.629 HG22 ' O ' ' A' ' 4' ' ' ILE . 9.5 tp -54.38 -30.96 21.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.789 0.328 . . . . 63.31 111.147 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 29.1 pt -74.76 -27.36 20.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 64.43 111.104 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.2 ttmt -81.27 -18.27 46.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 74.42 110.906 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 67.2 t -100.26 -41.69 9.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 61.44 111.125 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 10.4 tp -51.66 -30.35 11.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 65.33 111.114 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 30.7 mmtp -75.09 -44.51 47.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 75.33 110.954 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.7 m -67.29 -29.87 69.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 74.21 110.896 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.578 HD22 ' CE2' ' A' ' 18' ' ' PHE . 2.5 mt -64.66 -51.02 64.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.081 -0.509 . . . . 74.21 110.852 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.4 ' O ' HG23 ' A' ' 19' ' ' THR . 55.1 mt -52.08 -40.68 30.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 71.51 111.13 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -60.63 -61.01 2.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 72.01 110.926 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -58.23 -28.69 65.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 72.41 110.949 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.578 ' CE2' HD22 ' A' ' 14' ' ' LEU . 0.8 OUTLIER -71.05 -48.74 51.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 74.11 110.897 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.4 HG23 ' O ' ' A' ' 15' ' ' ILE . 34.9 p . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 52.34 111.154 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.496 -0.242 . . . . 61.12 112.496 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 27.5 mm -107.72 -44.18 6.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.827 0.346 . . . . 64.4 111.126 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.64 ' O ' HG22 ' A' ' 7' ' ' ILE . 5.3 mp -80.49 -25.3 11.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 72.34 111.115 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.98 -25.29 37.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 70.44 111.071 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.512 ' O ' HG23 ' A' ' 10' ' ' VAL . . . -97.69 -22.92 14.8 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.765 -0.731 . . . . 70.2 112.464 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.64 HG22 ' O ' ' A' ' 4' ' ' ILE . 10.4 tp -52.47 -28.99 12.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.794 0.33 . . . . 62.34 111.104 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 26.6 pt -87.82 -27.56 5.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 34.13 111.098 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 43.7 mttt -97.99 18.46 15.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 73.21 110.894 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 6' ' ' GLY . 84.6 t -135.88 -41.25 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 54.0 111.155 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.8 tp -51.76 -31.7 13.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 52.32 111.14 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.8 mttt -70.54 -41.85 71.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 75.42 110.873 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 9.6 p -76.06 -26.76 56.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 72.44 110.866 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 40.1 tp -67.77 -43.05 80.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 72.14 110.896 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 56.6 mt -68.48 -27.44 36.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 51.53 111.1 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -67.26 -59.32 3.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 64.12 110.877 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -57.9 -41.02 81.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 64.22 110.894 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -54.54 -66.92 0.32 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 74.51 110.894 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 65.1 p . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.125 -0.489 . . . . 71.21 111.139 -179.897 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 N-CA-C 112.469 -0.252 . . . . 53.44 112.469 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 44.4 mm -105.59 -47.01 9.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.799 0.333 . . . . 63.53 111.152 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.629 ' O ' HG22 ' A' ' 7' ' ' ILE . 5.4 mp -79.11 -25.05 12.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 73.4 111.095 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.08 -25.09 32.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 70.15 111.068 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -97.84 -19.89 23.11 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.741 -0.743 . . . . 71.33 112.497 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.629 HG22 ' O ' ' A' ' 4' ' ' ILE . 10.1 tp -54.37 -31.84 23.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.807 0.337 . . . . 73.24 111.115 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.649 ' O ' HG22 ' A' ' 11' ' ' ILE . 2.3 pp -75.11 -26.57 19.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 54.42 111.152 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.4 mtpm? -82.56 -17.66 44.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 62.42 110.918 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 43.8 t -105.04 -24.15 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 75.53 111.132 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.649 HG22 ' O ' ' A' ' 8' ' ' ILE . 10.7 tp -51.77 -29.82 11.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 75.02 111.144 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.14 -47.38 51.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.47 . . . . 64.4 110.904 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 46.1 t -70.97 -26.65 63.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 70.33 110.878 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 26.5 tp -67.92 -48.73 65.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.115 -0.493 . . . . 74.14 110.928 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 54.1 mt -63.62 -26.27 40.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 61.15 111.095 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -68.46 -60.94 2.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 62.52 110.945 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -55.68 -41.79 74.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.489 . . . . 61.41 110.949 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -54.8 -68.06 0.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 73.23 110.86 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 69.9 p . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 74.44 111.126 -179.87 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.483 -0.247 . . . . 75.2 112.483 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.4 mp -101.36 -47.76 11.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.824 0.345 . . . . 74.14 111.119 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.592 ' O ' HG22 ' A' ' 7' ' ' ILE . 5.3 mp -74.41 -25.38 19.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 63.32 111.089 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.87 -25.01 30.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 72.01 111.094 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -98.86 -19.56 21.64 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.729 -0.748 . . . . 54.3 112.495 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.592 HG22 ' O ' ' A' ' 4' ' ' ILE . 9.4 tp -54.05 -32.93 23.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.832 0.348 . . . . 73.33 111.148 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.634 ' O ' HG22 ' A' ' 11' ' ' ILE . 2.3 pp -75.31 -26.58 18.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 74.44 111.079 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.9 ttpp -82.62 -17.62 44.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 63.43 110.861 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 62.0 t -104.92 -24.24 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 70.23 111.158 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.634 HG22 ' O ' ' A' ' 8' ' ' ILE . 20.8 tt -51.72 -29.82 10.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 73.04 111.135 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -75.15 -48.37 23.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 64.4 110.863 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 49.4 m -57.02 -35.72 69.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 34.43 110.839 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.03 -58.89 3.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.098 -0.501 . . . . 54.55 110.892 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 56.2 mt -59.77 -25.34 31.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 51.1 111.11 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 53.8 tt0 -57.71 -69.86 0.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 43.52 110.897 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -53.98 -29.01 41.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 74.15 110.866 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -65.86 -65.94 0.61 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 71.13 110.861 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 31.2 p . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 72.21 111.178 -179.92 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.47 -0.252 . . . . 64.14 112.47 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.4 mp -104.04 -47.5 10.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.81 0.338 . . . . 51.3 111.136 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.598 ' O ' HG22 ' A' ' 7' ' ' ILE . 5.3 mp -75.06 -25.07 18.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 64.23 111.142 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -84.31 -25.03 29.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 44.42 111.08 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -98.51 -19.37 23.08 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.746 -0.74 . . . . 75.33 112.466 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.598 HG22 ' O ' ' A' ' 4' ' ' ILE . 9.6 tp -54.09 -32.73 23.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.802 0.334 . . . . 74.4 111.157 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.628 ' O ' HG22 ' A' ' 11' ' ' ILE . 2.1 pp -75.13 -26.62 19.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 72.42 111.116 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.8 ttpt -82.66 -17.61 43.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 72.21 110.83 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 57.9 t -104.96 -24.27 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 55.24 111.12 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.628 HG22 ' O ' ' A' ' 8' ' ' ILE . 8.0 tt -51.72 -29.84 10.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 63.41 111.169 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.3 mttt -75.32 -59.32 2.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 71.34 110.886 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 74.7 m -56.97 -29.74 63.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 65.24 110.827 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 57.7 tp -70.47 -59.5 2.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 72.23 110.877 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 61.0 mt -59.62 -26.69 35.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 72.15 111.128 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 -55.25 -71.27 0.09 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 74.2 110.918 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.26 -30.21 26.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 73.24 110.911 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -65.1 -54.62 27.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 74.21 110.861 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 31.0 p . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 73.34 111.164 -179.949 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.497 -0.241 . . . . 62.01 112.497 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 40.3 mm -97.49 -25.61 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.786 0.327 . . . . 60.3 111.122 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.648 ' O ' HG22 ' A' ' 7' ' ' ILE . 5.1 mp -98.63 -25.15 4.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 73.45 111.102 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.37 -25.06 34.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 41.24 111.072 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -97.28 -19.77 24.85 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.724 -0.751 . . . . 64.3 112.458 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.648 HG22 ' O ' ' A' ' 4' ' ' ILE . 10.7 tp -54.62 -30.79 22.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.762 0.315 . . . . 75.03 111.127 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.65 ' O ' HG22 ' A' ' 11' ' ' ILE . 29.7 pt -75.08 -26.73 19.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 73.4 111.081 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.2 ttpp -82.58 -17.63 44.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 73.44 110.868 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 48.7 t -104.91 -24.21 4.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 63.22 111.151 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.65 HG22 ' O ' ' A' ' 8' ' ' ILE . 17.5 tt -51.82 -29.77 11.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 62.25 111.118 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.2 tppt? -72.41 -48.22 43.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 51.01 110.923 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 59.5 m -70.24 -26.47 63.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 73.22 110.863 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 25.6 tp -68.28 -49.61 59.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.478 . . . . 73.12 110.894 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 54.9 mt -63.66 -25.42 38.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 75.11 111.144 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -70.06 -59.46 2.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 33.4 110.91 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -57.58 -41.5 81.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 75.44 110.91 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -54.03 -66.6 0.37 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 71.25 110.893 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 58.0 p . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 60.32 111.135 -179.882 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.478 -0.249 . . . . 74.31 112.478 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.4 mp -95.51 -32.05 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.839 0.352 . . . . 72.1 111.15 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.597 ' O ' HG22 ' A' ' 7' ' ' ILE . 58.7 mt -73.02 -25.36 21.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 75.25 111.133 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.76 -25.23 30.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 74.04 111.107 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -98.37 -19.96 21.57 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.749 -0.738 . . . . 72.41 112.469 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.597 HG22 ' O ' ' A' ' 4' ' ' ILE . 9.2 tp -54.17 -32.5 23.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.774 0.321 . . . . 70.01 111.14 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.636 ' O ' HG22 ' A' ' 11' ' ' ILE . 29.6 pt -75.15 -26.65 19.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 62.31 111.113 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 50.1 mttt -82.67 -17.57 44.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 61.23 110.893 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 22.2 t -104.82 -24.55 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.274 -0.421 . . . . 73.31 111.152 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.636 HG22 ' O ' ' A' ' 8' ' ' ILE . 18.9 tt -51.71 -29.86 10.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 64.12 111.135 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.611 ' HD2' HG23 ' A' ' 11' ' ' ILE . 5.1 mptp? -72.14 -50.38 28.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 72.11 110.863 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 28.2 t -55.33 -32.67 62.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 72.33 110.842 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.2 -57.7 4.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 75.13 110.88 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 57.6 mt -60.91 -26.72 39.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 73.2 111.148 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -55.93 -69.92 0.13 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.471 . . . . 65.04 110.889 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -53.42 -28.74 31.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 71.34 110.868 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -65.96 -59.88 3.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 70.34 110.884 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.5 p . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 62.45 111.108 -179.888 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.486 -0.246 . . . . 63.33 112.486 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 33.9 mm -101.64 -25.35 3.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.839 0.352 . . . . 70.35 111.141 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.602 ' O ' HG22 ' A' ' 7' ' ' ILE . 58.6 mt -71.66 -25.23 24.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 51.01 111.123 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.3 -26.51 30.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 74.1 111.152 179.782 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -97.61 -19.48 24.88 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.748 -0.739 . . . . 44.1 112.504 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.602 HG22 ' O ' ' A' ' 4' ' ' ILE . 10.2 tp -54.56 -31.04 22.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.797 0.332 . . . . 65.3 111.071 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.649 ' O ' HG22 ' A' ' 11' ' ' ILE . 29.6 pt -75.05 -26.68 19.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 75.32 111.166 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.8 ttmm -82.62 -17.6 44.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 75.25 110.918 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 47.7 t -104.89 -24.3 4.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 65.23 111.124 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.649 HG22 ' O ' ' A' ' 8' ' ' ILE . 11.5 tt -51.72 -29.81 10.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 62.41 111.131 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 29.1 mmmt -72.18 -47.1 53.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 75.3 110.949 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.3 m -71.5 -26.47 62.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 75.42 110.901 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 23.3 tp -68.98 -48.84 62.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 74.54 110.864 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 53.4 mt -64.54 -25.21 37.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 72.43 111.101 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.23 -58.5 3.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 70.31 110.912 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -59.95 -39.9 87.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 70.43 110.891 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -54.41 -66.76 0.34 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 73.51 110.873 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 61.8 p . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 75.13 111.108 -179.924 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.469 -0.253 . . . . 75.21 112.469 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 44.5 mm -101.36 -26.96 3.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.771 0.319 . . . . 73.45 111.148 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.649 ' O ' HG22 ' A' ' 7' ' ' ILE . 5.4 mp -88.83 -24.97 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 71.43 111.126 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.36 -24.98 34.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 64.34 111.078 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -97.0 -19.65 25.88 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.759 -0.734 . . . . 60.21 112.475 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.649 HG22 ' O ' ' A' ' 4' ' ' ILE . 10.6 tp -54.73 -30.55 22.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.765 0.317 . . . . 63.11 111.085 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.648 ' O ' HG22 ' A' ' 11' ' ' ILE . 29.5 pt -75.04 -26.72 19.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 63.2 111.17 179.798 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 27.3 ttpt -82.62 -17.59 44.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 70.41 110.914 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 62.5 t -104.89 -24.22 4.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 72.43 111.139 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.648 HG22 ' O ' ' A' ' 8' ' ' ILE . 12.3 tt -51.88 -29.72 11.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 74.34 111.112 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.19 -46.94 54.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 54.33 110.902 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 44.2 t -71.64 -26.62 62.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 55.1 110.876 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 23.2 tp -68.83 -48.61 63.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 73.21 110.924 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 54.8 mt -65.11 -25.26 37.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 75.24 111.186 179.768 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -66.61 -60.6 2.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 72.23 110.867 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -60.02 -40.05 87.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 72.05 110.956 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -54.49 -64.82 0.71 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.453 . . . . 72.05 110.866 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 79.2 p . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.478 . . . . 72.2 111.156 -179.932 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.51 -0.236 . . . . 70.55 112.51 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 35.2 mm -98.71 -35.26 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.836 0.35 . . . . 75.12 111.136 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.61 ' O ' HG22 ' A' ' 7' ' ' ILE . 5.4 mp -75.98 -25.21 16.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 75.52 111.137 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.24 -25.11 31.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 60.21 111.094 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -98.55 -19.79 21.68 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.739 -0.743 . . . . 70.34 112.474 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.61 HG22 ' O ' ' A' ' 4' ' ' ILE . 9.9 tp -54.1 -32.28 22.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.809 0.338 . . . . 64.34 111.154 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.652 ' O ' HG22 ' A' ' 11' ' ' ILE . 29.6 pt -75.37 -26.67 18.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 71.14 111.123 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 69.5 mttt -82.59 -17.62 44.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 71.32 110.912 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 57.9 t -104.89 -24.22 4.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 73.54 111.082 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.652 HG22 ' O ' ' A' ' 8' ' ' ILE . 15.7 tt -51.86 -29.63 11.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 73.22 111.149 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.42 ' HD2' HG23 ' A' ' 11' ' ' ILE . 9.6 mptt -72.25 -47.09 52.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 74.1 110.902 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 67.0 m -71.49 -26.56 62.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 60.23 110.857 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 23.8 tp -68.1 -48.3 65.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 72.52 110.915 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 55.0 mt -64.59 -25.52 38.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 63.11 111.116 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -69.53 -58.88 3.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 53.2 110.888 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -58.23 -41.63 84.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 72.44 110.967 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -54.07 -66.85 0.32 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 75.14 110.911 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 70.8 p . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 73.45 111.155 -179.945 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.46 -0.256 . . . . 65.12 112.46 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 49.8 mm -117.17 -46.31 3.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.791 0.329 . . . . 72.34 111.143 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.637 ' O ' HG22 ' A' ' 7' ' ' ILE . 5.0 mp -80.45 -25.23 11.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 74.34 111.117 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.8 -25.06 33.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 73.53 111.098 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -97.47 -19.74 24.48 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.735 -0.745 . . . . 70.12 112.501 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.637 HG22 ' O ' ' A' ' 4' ' ' ILE . 10.7 tp -54.59 -31.12 23.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.803 0.335 . . . . 74.5 111.11 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.65 ' O ' HG22 ' A' ' 11' ' ' ILE . 29.6 pt -75.06 -26.76 19.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 70.41 111.148 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 31.9 mttm -82.5 -17.63 44.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 72.14 110.929 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.788 HG12 HD23 ' A' ' 14' ' ' LEU . 71.5 t -105.0 -23.87 4.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 75.3 111.118 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.65 HG22 ' O ' ' A' ' 8' ' ' ILE . 5.7 tt -52.14 -29.4 11.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 74.13 111.126 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.486 ' HD2' HG23 ' A' ' 11' ' ' ILE . 2.7 mptp? -71.48 -46.62 59.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 72.21 110.896 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 75.4 m -63.83 -26.85 68.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 54.33 110.879 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.788 HD23 HG12 ' A' ' 10' ' ' VAL . 3.5 mm? -76.01 -57.74 3.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 74.21 110.912 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 55.3 mt -54.42 -29.67 20.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 73.03 111.116 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.5 tm-20 -63.36 -68.77 0.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 73.34 110.887 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -52.3 -40.98 62.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 74.05 110.898 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -52.71 -66.98 0.29 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 74.4 110.901 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 74.1 p . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.129 -0.487 . . . . 73.24 111.113 -179.874 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -171.49 -46.73 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 CA-C-N 115.209 -0.905 . . . . 60.34 112.495 178.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 39.0 mm -100.17 -31.28 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.761 0.315 . . . . 73.01 111.085 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.617 ' O ' HG22 ' A' ' 7' ' ' ILE . 5.3 mp -73.5 -25.05 20.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 53.11 111.137 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.03 -25.0 32.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 74.44 111.121 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -100.49 -18.23 21.77 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.726 -0.75 . . . . 72.21 112.53 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.617 HG22 ' O ' ' A' ' 4' ' ' ILE . 8.7 tp -53.99 -32.39 22.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.78 0.324 . . . . 63.11 111.129 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 29.6 pt -73.74 -27.7 23.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 54.41 111.155 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 41.0 mttt -80.43 -18.67 48.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 73.25 110.914 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 61.5 t -99.29 -42.08 10.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 55.33 111.129 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 15.5 tt -51.69 -30.39 11.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.126 -0.488 . . . . 72.21 111.109 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -71.76 -43.49 65.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 72.32 110.879 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.3 m -74.79 -26.59 59.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 71.23 110.873 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 31.9 tp -67.57 -44.69 77.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 74.43 110.944 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 54.0 mt -66.34 -25.24 34.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 70.4 111.116 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -68.96 -58.5 4.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 73.32 110.866 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -58.67 -38.64 78.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 73.31 110.96 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -58.27 -67.08 0.38 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 74.41 110.876 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 59.3 p -52.28 126.83 20.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 42.4 111.18 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -104.91 42.5 1.88 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.754 -0.736 . . . . 65.14 112.483 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.337 0 CA-C-O 120.767 0.318 . . . . 74.44 110.847 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 106.93 -73.43 0.21 Allowed Glycine 0 N--CA 1.451 -0.311 0 CA-C-N 115.173 -0.921 . . . . 43.21 112.478 178.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 38.7 mm -90.29 -28.41 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.815 0.341 . . . . 73.41 111.143 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.608 ' O ' HG22 ' A' ' 7' ' ' ILE . 75.5 mt -73.53 -24.87 20.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 64.55 111.149 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.2 -25.05 32.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 64.34 111.092 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -101.07 -18.06 20.91 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.777 -0.725 . . . . 65.44 112.512 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.608 HG22 ' O ' ' A' ' 4' ' ' ILE . 8.3 tp -52.88 -33.47 19.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.811 0.339 . . . . 55.31 111.176 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.414 ' HA ' HG22 ' A' ' 11' ' ' ILE . 27.6 pt -71.64 -30.62 39.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 64.51 111.145 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -77.85 -19.21 55.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 62.44 110.878 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 29.5 t -97.38 -45.12 12.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 54.52 111.099 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.414 HG22 ' HA ' ' A' ' 8' ' ' ILE . 20.7 tt -51.67 -30.35 11.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.189 -0.459 . . . . 64.4 111.161 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 61.2 mmtt -72.04 -41.64 67.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 64.21 110.869 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.9 t -76.27 -26.55 56.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 73.22 110.88 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 44.5 tp -68.57 -44.43 74.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.116 -0.493 . . . . 74.25 110.912 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 55.7 mt -67.46 -25.75 34.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.448 . . . . 71.43 111.126 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -70.26 -58.88 3.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 55.02 110.928 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -57.15 -41.87 79.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 73.34 110.876 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -54.56 -66.96 0.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 74.05 110.875 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 63.9 p -53.31 167.43 0.2 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 63.22 111.131 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -83.95 -38.9 9.8 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.715 -0.755 . . . . 43.31 112.444 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.2 mptt . . . . . 0 C--N 1.328 -0.327 0 CA-C-O 120.768 0.318 . . . . 64.22 110.839 -179.929 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 89.07 -47.05 3.32 Favored Glycine 0 N--CA 1.452 -0.291 0 CA-C-N 115.156 -0.929 . . . . 52.44 112.491 178.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.4 mp -92.62 -25.02 5.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.83 0.347 . . . . 73.25 111.136 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.612 ' O ' HG22 ' A' ' 7' ' ' ILE . 28.1 mm -72.25 -24.44 22.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 73.32 111.132 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.82 -24.84 33.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 52.32 111.085 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -101.18 -18.43 19.56 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.787 -0.721 . . . . 74.52 112.461 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.612 HG22 ' O ' ' A' ' 4' ' ' ILE . 8.5 tp -53.01 -33.16 19.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.82 0.343 . . . . 73.33 111.099 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.419 ' HA ' HG22 ' A' ' 11' ' ' ILE . 28.6 pt -71.84 -30.69 38.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 63.3 111.125 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.8 -19.18 55.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 64.24 110.885 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 39.4 t -97.41 -45.11 12.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.226 -0.443 . . . . 55.5 111.121 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.419 HG22 ' HA ' ' A' ' 8' ' ' ILE . 10.7 tp -51.67 -30.14 11.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 73.24 111.12 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -74.22 -51.53 15.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 74.3 110.916 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 34.3 p -56.84 -34.75 68.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 73.43 110.89 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.47 -58.53 4.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.103 -0.499 . . . . 34.4 110.963 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.413 ' O ' HG23 ' A' ' 19' ' ' THR . 56.4 mt -57.04 -27.81 27.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 61.5 111.107 179.805 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -61.14 -64.25 1.02 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 51.11 110.892 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -54.89 -29.24 55.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 54.42 110.968 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -71.79 -52.06 19.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 72.12 110.902 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.413 HG23 ' O ' ' A' ' 15' ' ' ILE . 52.2 p -74.9 160.04 31.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 75.35 111.082 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -80.42 -62.23 2.09 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.741 -0.742 . . . . 71.03 112.509 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.9 mmmt . . . . . 0 C--N 1.329 -0.302 0 CA-C-O 120.765 0.317 . . . . 71.55 110.933 179.981 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 131.29 -22.07 4.49 Favored Glycine 0 N--CA 1.451 -0.358 0 CA-C-N 115.136 -0.938 . . . . 70.21 112.516 178.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 50.7 mm -116.04 -26.16 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.732 0.301 . . . . 65.21 111.093 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.614 ' O ' HG22 ' A' ' 7' ' ' ILE . 70.6 mt -73.54 -24.74 20.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.226 -0.443 . . . . 75.04 111.118 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.12 -24.87 32.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 70.41 111.108 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -101.66 -17.74 20.49 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.751 -0.738 . . . . 73.43 112.496 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.614 HG22 ' O ' ' A' ' 4' ' ' ILE . 8.1 tp -52.86 -33.58 19.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.833 0.349 . . . . 70.53 111.147 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.415 ' HA ' HG22 ' A' ' 11' ' ' ILE . 28.8 pt -71.64 -30.66 39.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 74.21 111.149 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 21.6 ttmt -77.62 -19.3 55.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 71.11 110.913 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 61.6 t -97.12 -45.4 12.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 75.31 111.154 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.415 HG22 ' HA ' ' A' ' 8' ' ' ILE . 6.9 tt -51.69 -30.26 11.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 74.5 111.106 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 53.1 mmtt -72.56 -38.83 67.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 73.32 110.917 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.0 m -70.13 -36.71 74.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 34.14 110.867 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -64.58 -27.21 68.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.099 -0.501 . . . . 74.45 110.922 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 49.2 mt -86.11 -35.65 9.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 65.21 111.163 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 20.4 tp10 -62.62 -43.29 99.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 73.43 110.928 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -71.98 -33.46 68.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 74.0 110.873 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -69.55 -62.18 1.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.436 . . . . 72.41 110.882 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 48.4 p -56.15 164.22 1.34 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.48 . . . . 70.43 111.134 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.79 -49.0 45.49 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.784 -0.722 . . . . 72.51 112.507 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.339 0 CA-C-O 120.813 0.34 . . . . 72.42 110.935 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 137.39 -27.25 2.88 Favored Glycine 0 N--CA 1.451 -0.341 0 CA-C-N 115.182 -0.917 . . . . 71.32 112.489 178.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 43.0 mm -91.98 -32.49 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.794 0.33 . . . . 73.43 111.092 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.608 ' O ' HG22 ' A' ' 7' ' ' ILE . 5.3 mp -73.53 -24.88 20.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 63.03 111.113 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.09 -24.82 32.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 74.33 111.113 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -101.63 -17.63 20.88 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.682 -0.771 . . . . 73.52 112.529 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.608 HG22 ' O ' ' A' ' 4' ' ' ILE . 8.1 tp -52.99 -33.52 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.847 0.356 . . . . 75.31 111.135 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.417 ' HA ' HG22 ' A' ' 11' ' ' ILE . 28.1 pt -71.62 -30.61 39.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 53.21 111.169 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.6 tttt -77.8 -19.22 55.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 74.21 110.887 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 57.3 t -97.22 -46.47 12.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 74.32 111.133 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.417 HG22 ' HA ' ' A' ' 8' ' ' ILE . 14.2 tt -51.71 -30.08 11.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 74.31 111.152 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.1 mtpp -82.68 -49.19 10.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 73.14 110.879 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 30.3 t -57.98 -35.1 70.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 71.22 110.846 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.23 -53.86 26.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 54.54 110.939 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.401 ' O ' HG23 ' A' ' 19' ' ' THR . 55.3 mt -60.28 -27.3 39.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 43.1 111.141 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -64.61 -61.41 2.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 64.11 110.913 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -56.66 -27.36 58.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 71.2 110.912 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -73.72 -51.98 14.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 74.15 110.907 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.401 HG23 ' O ' ' A' ' 15' ' ' ILE . 52.5 p -75.27 112.87 11.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 74.01 111.112 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -85.29 53.68 4.79 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.719 -0.753 . . . . 71.3 112.482 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 32.5 mttp . . . . . 0 C--N 1.329 -0.302 0 CA-C-O 120.797 0.332 . . . . 74.11 110.949 -179.988 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 98.07 -19.74 53.3 Favored Glycine 0 N--CA 1.451 -0.345 0 CA-C-N 115.178 -0.919 . . . . 50.01 112.501 178.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 36.2 mm -105.23 -34.85 3.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.802 0.334 . . . . 71.43 111.173 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.621 ' O ' HG22 ' A' ' 7' ' ' ILE . 73.6 mt -73.43 -25.04 20.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 65.31 111.174 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.69 -25.01 33.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 72.01 111.099 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -100.56 -18.22 21.62 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.753 -0.737 . . . . 73.34 112.504 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.621 HG22 ' O ' ' A' ' 4' ' ' ILE . 9.1 tp -53.98 -32.58 22.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.748 0.309 . . . . 74.0 111.104 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 26.9 pt -73.51 -27.69 23.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 75.21 111.111 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 20.3 ttpp -80.53 -18.63 47.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 72.01 110.901 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.644 HG12 HD23 ' A' ' 14' ' ' LEU . 47.8 t -99.3 -42.78 11.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 72.12 111.14 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 10.9 tp -51.66 -30.37 11.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 64.55 111.129 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -74.05 -43.66 57.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 74.12 110.911 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.5 t -66.55 -26.7 67.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.216 -0.447 . . . . 75.12 110.853 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.644 HD23 HG12 ' A' ' 10' ' ' VAL . 2.6 mm? -75.92 -59.23 2.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 65.23 110.9 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 55.4 mt -55.64 -26.6 20.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 51.13 111.138 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.39 -63.12 1.27 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 63.45 110.89 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.43 -28.98 68.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 72.42 110.946 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.572 ' CE2' HD12 ' A' ' 14' ' ' LEU . 1.9 m-85 -55.47 -64.55 0.81 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 61.21 110.856 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 43.8 p -52.36 134.45 34.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 72.11 111.152 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -106.73 -32.95 3.43 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.754 -0.736 . . . . 70.13 112.486 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 36.7 mtmt . . . . . 0 C--N 1.328 -0.333 0 CA-C-O 120.835 0.35 . . . . 74.13 110.907 -179.963 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 150.52 -38.84 0.87 Allowed Glycine 0 N--CA 1.451 -0.32 0 CA-C-N 115.16 -0.927 . . . . 63.04 112.495 178.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 43.5 mm -100.05 -34.73 4.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.781 0.324 . . . . 63.43 111.134 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.628 ' O ' HG22 ' A' ' 7' ' ' ILE . 5.4 mp -76.23 -24.79 16.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 72.21 111.103 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.97 -24.91 32.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 71.44 111.12 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -99.94 -18.26 22.99 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.733 -0.746 . . . . 74.42 112.484 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.628 HG22 ' O ' ' A' ' 4' ' ' ILE . 9.2 tp -54.03 -32.35 22.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.847 0.356 . . . . 73.22 111.165 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 29.4 pt -73.75 -27.54 23.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 45.24 111.137 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.7 mmpt? -80.68 -18.56 47.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 54.13 110.917 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 44.0 t -99.49 -42.53 10.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 75.3 111.099 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 20.2 tt -51.69 -30.06 11.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.457 . . . . 72.42 111.12 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.49 -43.86 30.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 72.4 110.876 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.9 m -64.18 -35.74 81.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 72.13 110.834 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.38 -56.88 7.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.108 -0.496 . . . . 75.22 110.895 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 60.7 mt -57.21 -26.13 24.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 73.14 111.144 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -64.22 -63.96 1.01 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 63.43 110.909 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -53.54 -29.0 34.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 73.12 110.903 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -70.9 -69.86 0.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 74.45 110.879 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 43.4 p -51.92 -49.11 63.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 74.53 111.109 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 71.04 31.73 66.49 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.772 -0.728 . . . . 34.11 112.49 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.8 ptpt . . . . . 0 C--N 1.328 -0.342 0 CA-C-O 120.793 0.33 . . . . 72.22 110.904 -179.97 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' FME . . . . . 0.535 ' O1 ' HD13 ' A' ' 4' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 103.88 -54.31 0.67 Allowed Glycine 0 N--CA 1.452 -0.282 0 CA-C-N 115.202 -0.908 . . . . 70.34 112.466 178.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 37.1 mm -95.89 -30.72 4.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.872 0.368 . . . . 74.25 111.179 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.628 ' O ' HG22 ' A' ' 7' ' ' ILE . 5.4 mp -76.63 -24.7 15.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 73.12 111.116 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.9 -24.98 32.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 53.32 111.077 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -99.63 -18.51 23.01 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.774 -0.726 . . . . 61.11 112.529 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.628 HG22 ' O ' ' A' ' 4' ' ' ILE . 9.3 tp -54.52 -29.5 20.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.77 0.319 . . . . 61.12 111.131 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 26.5 pt -76.16 -27.52 17.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 73.22 111.132 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.91 -18.44 47.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.14 -0.482 . . . . 74.44 110.936 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.648 HG12 HD23 ' A' ' 14' ' ' LEU . 60.3 t -99.7 -42.4 10.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 73.21 111.143 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 20.4 tt -51.7 -30.04 11.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 73.14 111.156 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 27.1 mmtp -71.12 -41.08 71.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 73.31 110.873 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.5 t -70.24 -26.53 63.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 42.4 110.862 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.648 HD23 HG12 ' A' ' 10' ' ' VAL . 3.5 mm? -72.45 -56.74 4.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.11 -0.496 . . . . 62.02 110.935 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 56.1 mt -54.54 -29.98 21.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 74.14 111.121 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -66.17 -58.54 5.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 60.02 110.854 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -65.19 -30.31 71.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 70.45 110.885 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.454 ' CE2' HD12 ' A' ' 14' ' ' LEU . 2.6 m-85 -57.43 -65.12 0.68 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 73.2 110.896 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 30.4 p -57.12 -37.39 71.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 65.32 111.166 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 129.32 -28.38 4.06 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.741 -0.743 . . . . 53.24 112.477 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.0 pttp . . . . . 0 C--N 1.328 -0.334 0 CA-C-O 120.775 0.321 . . . . 62.21 110.91 -179.926 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 105.41 -26.27 22.16 Favored Glycine 0 N--CA 1.451 -0.335 0 CA-C-N 115.132 -0.94 . . . . 72.13 112.521 178.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 33.5 mm -115.23 -25.28 3.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.797 0.332 . . . . 73.41 111.114 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.621 ' O ' HG22 ' A' ' 7' ' ' ILE . 5.3 mp -99.65 -24.69 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 73.24 111.147 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.83 -24.86 30.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 35.31 111.102 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -97.92 -18.47 27.14 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.675 -0.774 . . . . 72.01 112.485 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.621 HG22 ' O ' ' A' ' 4' ' ' ILE . 9.7 tp -53.97 -31.88 21.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.835 0.35 . . . . 64.2 111.129 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 28.9 pt -73.76 -28.15 23.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 64.53 111.092 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.8 ttmm -80.62 -18.35 48.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 50.2 110.885 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 71.9 t -99.66 -42.69 10.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.24 -0.436 . . . . 72.2 111.105 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 11.9 tt -51.73 -30.35 11.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 73.22 111.118 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.0 mmmt -68.22 -38.83 82.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 75.51 110.935 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.2 t -68.21 -38.05 81.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 74.21 110.888 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -66.43 -49.34 67.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 75.13 110.949 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 68.1 mt -65.12 -31.23 53.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 74.31 111.166 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -57.21 -70.2 0.13 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 73.14 110.85 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.66 -30.76 33.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 75.24 110.894 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -63.91 -59.01 5.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 74.04 110.869 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 31.1 p -68.19 150.71 47.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 45.23 111.113 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -166.35 54.49 0.25 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.727 -0.749 . . . . 71.41 112.448 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.1 pptp? . . . . . 0 C--N 1.328 -0.332 0 CA-C-O 120.797 0.332 . . . . 64.12 110.887 179.997 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 79.33 -57.85 4.4 Favored Glycine 0 N--CA 1.451 -0.324 0 CA-C-N 115.219 -0.901 . . . . 71.31 112.46 178.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 35.3 mm -89.6 -25.02 5.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.82 0.343 . . . . 74.24 111.115 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.629 ' O ' HG22 ' A' ' 7' ' ' ILE . 45.2 mm -67.43 -24.45 31.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 73.43 111.129 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.64 -24.87 31.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.481 . . . . 35.15 111.151 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -97.86 -19.17 25.19 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.719 -0.753 . . . . 73.23 112.499 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.629 HG22 ' O ' ' A' ' 4' ' ' ILE . 9.5 tp -54.38 -30.96 21.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.789 0.328 . . . . 63.31 111.147 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 29.1 pt -74.76 -27.36 20.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 64.43 111.104 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.2 ttmt -81.27 -18.27 46.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 74.42 110.906 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 67.2 t -100.26 -41.69 9.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 61.44 111.125 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 10.4 tp -51.66 -30.35 11.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 65.33 111.114 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 30.7 mmtp -75.09 -44.51 47.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 75.33 110.954 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.7 m -67.29 -29.87 69.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 74.21 110.896 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.578 HD22 ' CE2' ' A' ' 18' ' ' PHE . 2.5 mt -64.66 -51.02 64.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.081 -0.509 . . . . 74.21 110.852 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.4 ' O ' HG23 ' A' ' 19' ' ' THR . 55.1 mt -52.08 -40.68 30.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 71.51 111.13 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -60.63 -61.01 2.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 72.01 110.926 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -58.23 -28.69 65.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 72.41 110.949 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.578 ' CE2' HD22 ' A' ' 14' ' ' LEU . 0.8 OUTLIER -71.05 -48.74 51.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 74.11 110.897 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.4 HG23 ' O ' ' A' ' 15' ' ' ILE . 34.9 p -81.03 115.35 20.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 52.34 111.154 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -132.4 29.03 3.37 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.749 -0.739 . . . . 32.34 112.455 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.1 mttt . . . . . 0 C--N 1.328 -0.349 0 CA-C-O 120.812 0.339 . . . . 73.04 110.867 -179.97 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 146.62 -24.49 1.66 Allowed Glycine 0 N--CA 1.451 -0.358 0 CA-C-N 115.196 -0.911 . . . . 61.12 112.496 178.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 27.5 mm -107.72 -44.18 6.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.827 0.346 . . . . 64.4 111.126 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.64 ' O ' HG22 ' A' ' 7' ' ' ILE . 5.3 mp -80.49 -25.3 11.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 72.34 111.115 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.98 -25.29 37.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 70.44 111.071 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.512 ' O ' HG23 ' A' ' 10' ' ' VAL . . . -97.69 -22.92 14.8 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.765 -0.731 . . . . 70.2 112.464 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.64 HG22 ' O ' ' A' ' 4' ' ' ILE . 10.4 tp -52.47 -28.99 12.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.794 0.33 . . . . 62.34 111.104 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 26.6 pt -87.82 -27.56 5.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 34.13 111.098 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 43.7 mttt -97.99 18.46 15.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 73.21 110.894 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 6' ' ' GLY . 84.6 t -135.88 -41.25 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 54.0 111.155 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.8 tp -51.76 -31.7 13.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 52.32 111.14 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.8 mttt -70.54 -41.85 71.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 75.42 110.873 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 9.6 p -76.06 -26.76 56.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 72.44 110.866 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 40.1 tp -67.77 -43.05 80.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 72.14 110.896 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 56.6 mt -68.48 -27.44 36.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 51.53 111.1 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -67.26 -59.32 3.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 64.12 110.877 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -57.9 -41.02 81.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 64.22 110.894 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -54.54 -66.92 0.32 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 74.51 110.894 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 65.1 p -52.81 156.21 2.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.125 -0.489 . . . . 71.21 111.139 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -105.64 -32.92 3.73 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.72 -0.753 . . . . 44.53 112.508 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 28.9 mmmt . . . . . 0 C--N 1.329 -0.314 0 CA-C-O 120.782 0.325 . . . . 50.21 110.862 -179.931 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 110.88 -25.54 14.29 Favored Glycine 0 N--CA 1.452 -0.263 0 CA-C-N 115.167 -0.924 . . . . 53.44 112.469 178.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 44.4 mm -105.59 -47.01 9.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.799 0.333 . . . . 63.53 111.152 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.629 ' O ' HG22 ' A' ' 7' ' ' ILE . 5.4 mp -79.11 -25.05 12.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 73.4 111.095 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.08 -25.09 32.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 70.15 111.068 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -97.84 -19.89 23.11 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.741 -0.743 . . . . 71.33 112.497 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.629 HG22 ' O ' ' A' ' 4' ' ' ILE . 10.1 tp -54.37 -31.84 23.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.807 0.337 . . . . 73.24 111.115 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.649 ' O ' HG22 ' A' ' 11' ' ' ILE . 2.3 pp -75.11 -26.57 19.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 54.42 111.152 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.4 mtpm? -82.56 -17.66 44.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 62.42 110.918 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 43.8 t -105.04 -24.15 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 75.53 111.132 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.649 HG22 ' O ' ' A' ' 8' ' ' ILE . 10.7 tp -51.77 -29.82 11.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 75.02 111.144 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.14 -47.38 51.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.47 . . . . 64.4 110.904 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 46.1 t -70.97 -26.65 63.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 70.33 110.878 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 26.5 tp -67.92 -48.73 65.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.115 -0.493 . . . . 74.14 110.928 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 54.1 mt -63.62 -26.27 40.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 61.15 111.095 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -68.46 -60.94 2.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 62.52 110.945 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -55.68 -41.79 74.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.489 . . . . 61.41 110.949 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -54.8 -68.06 0.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 73.23 110.86 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 69.9 p -52.2 152.75 3.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 74.44 111.126 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -112.37 -27.8 3.77 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.668 -0.777 . . . . 65.25 112.504 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 43.3 mttm . . . . . 0 C--N 1.329 -0.323 0 CA-C-O 120.776 0.322 . . . . 74.35 110.896 -180.0 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 132.87 -32.67 2.74 Favored Glycine 0 N--CA 1.451 -0.308 0 CA-C-N 115.192 -0.913 . . . . 75.2 112.483 178.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.4 mp -101.36 -47.76 11.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.824 0.345 . . . . 74.14 111.119 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.592 ' O ' HG22 ' A' ' 7' ' ' ILE . 5.3 mp -74.41 -25.38 19.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 63.32 111.089 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.87 -25.01 30.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 72.01 111.094 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -98.86 -19.56 21.64 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.729 -0.748 . . . . 54.3 112.495 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.592 HG22 ' O ' ' A' ' 4' ' ' ILE . 9.4 tp -54.05 -32.93 23.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.832 0.348 . . . . 73.33 111.148 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.634 ' O ' HG22 ' A' ' 11' ' ' ILE . 2.3 pp -75.31 -26.58 18.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 74.44 111.079 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.9 ttpp -82.62 -17.62 44.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 63.43 110.861 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 62.0 t -104.92 -24.24 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 70.23 111.158 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.634 HG22 ' O ' ' A' ' 8' ' ' ILE . 20.8 tt -51.72 -29.82 10.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 73.04 111.135 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -75.15 -48.37 23.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 64.4 110.863 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 49.4 m -57.02 -35.72 69.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 34.43 110.839 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.03 -58.89 3.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.098 -0.501 . . . . 54.55 110.892 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 56.2 mt -59.77 -25.34 31.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 51.1 111.11 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 53.8 tt0 -57.71 -69.86 0.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 43.52 110.897 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -53.98 -29.01 41.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 74.15 110.866 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -65.86 -65.94 0.61 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 71.13 110.861 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 31.2 p -58.75 -28.37 65.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 72.21 111.178 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 109.24 -47.05 1.08 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.777 -0.725 . . . . 74.32 112.533 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.3 mtpp . . . . . 0 C--N 1.328 -0.354 0 CA-C-O 120.828 0.347 . . . . 73.24 110.91 -179.999 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 150.51 -24.57 1.07 Allowed Glycine 0 N--CA 1.452 -0.291 0 CA-C-N 115.151 -0.931 . . . . 64.14 112.47 178.81 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.4 mp -104.04 -47.5 10.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.81 0.338 . . . . 51.3 111.136 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.598 ' O ' HG22 ' A' ' 7' ' ' ILE . 5.3 mp -75.06 -25.07 18.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 64.23 111.142 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -84.31 -25.03 29.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 44.42 111.08 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -98.51 -19.37 23.08 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.746 -0.74 . . . . 75.33 112.466 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.598 HG22 ' O ' ' A' ' 4' ' ' ILE . 9.6 tp -54.09 -32.73 23.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.802 0.334 . . . . 74.4 111.157 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.628 ' O ' HG22 ' A' ' 11' ' ' ILE . 2.1 pp -75.13 -26.62 19.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 72.42 111.116 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.8 ttpt -82.66 -17.61 43.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 72.21 110.83 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 57.9 t -104.96 -24.27 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 55.24 111.12 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.628 HG22 ' O ' ' A' ' 8' ' ' ILE . 8.0 tt -51.72 -29.84 10.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 63.41 111.169 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.3 mttt -75.32 -59.32 2.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 71.34 110.886 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 74.7 m -56.97 -29.74 63.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 65.24 110.827 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 57.7 tp -70.47 -59.5 2.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 72.23 110.877 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 61.0 mt -59.62 -26.69 35.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 72.15 111.128 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 -55.25 -71.27 0.09 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 74.2 110.918 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.26 -30.21 26.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 73.24 110.911 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -65.1 -54.62 27.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 74.21 110.861 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 31.0 p -74.84 172.78 11.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 73.34 111.164 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -152.25 64.99 0.36 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.711 -0.757 . . . . 72.13 112.459 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp . . . . . 0 C--N 1.328 -0.334 0 CA-C-O 120.767 0.318 . . . . 73.11 110.891 179.982 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 130.14 -19.7 5.13 Favored Glycine 0 N--CA 1.452 -0.298 0 CA-C-N 115.164 -0.926 . . . . 62.01 112.497 178.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 40.3 mm -97.49 -25.61 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.786 0.327 . . . . 60.3 111.122 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.648 ' O ' HG22 ' A' ' 7' ' ' ILE . 5.1 mp -98.63 -25.15 4.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 73.45 111.102 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.37 -25.06 34.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 41.24 111.072 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -97.28 -19.77 24.85 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.724 -0.751 . . . . 64.3 112.458 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.648 HG22 ' O ' ' A' ' 4' ' ' ILE . 10.7 tp -54.62 -30.79 22.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.762 0.315 . . . . 75.03 111.127 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.65 ' O ' HG22 ' A' ' 11' ' ' ILE . 29.7 pt -75.08 -26.73 19.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 73.4 111.081 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.2 ttpp -82.58 -17.63 44.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 73.44 110.868 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 48.7 t -104.91 -24.21 4.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 63.22 111.151 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.65 HG22 ' O ' ' A' ' 8' ' ' ILE . 17.5 tt -51.82 -29.77 11.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 62.25 111.118 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.2 tppt? -72.41 -48.22 43.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 51.01 110.923 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 59.5 m -70.24 -26.47 63.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 73.22 110.863 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 25.6 tp -68.28 -49.61 59.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.478 . . . . 73.12 110.894 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 54.9 mt -63.66 -25.42 38.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 75.11 111.144 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -70.06 -59.46 2.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 33.4 110.91 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -57.58 -41.5 81.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 75.44 110.91 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -54.03 -66.6 0.37 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 71.25 110.893 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 58.0 p -53.15 152.88 3.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 60.32 111.135 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -164.57 48.26 0.29 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.766 -0.73 . . . . 63.24 112.502 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 120.815 0.34 . . . . 74.13 110.88 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 141.96 -46.13 0.9 Allowed Glycine 0 N--CA 1.452 -0.298 0 CA-C-N 115.165 -0.925 . . . . 74.31 112.478 178.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.4 mp -95.51 -32.05 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.839 0.352 . . . . 72.1 111.15 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.597 ' O ' HG22 ' A' ' 7' ' ' ILE . 58.7 mt -73.02 -25.36 21.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 75.25 111.133 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.76 -25.23 30.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 74.04 111.107 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -98.37 -19.96 21.57 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.749 -0.738 . . . . 72.41 112.469 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.597 HG22 ' O ' ' A' ' 4' ' ' ILE . 9.2 tp -54.17 -32.5 23.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.774 0.321 . . . . 70.01 111.14 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.636 ' O ' HG22 ' A' ' 11' ' ' ILE . 29.6 pt -75.15 -26.65 19.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 62.31 111.113 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 50.1 mttt -82.67 -17.57 44.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 61.23 110.893 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 22.2 t -104.82 -24.55 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.274 -0.421 . . . . 73.31 111.152 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.636 HG22 ' O ' ' A' ' 8' ' ' ILE . 18.9 tt -51.71 -29.86 10.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 64.12 111.135 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.611 ' HD2' HG23 ' A' ' 11' ' ' ILE . 5.1 mptp? -72.14 -50.38 28.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 72.11 110.863 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 28.2 t -55.33 -32.67 62.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 72.33 110.842 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.2 -57.7 4.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 75.13 110.88 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 57.6 mt -60.91 -26.72 39.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 73.2 111.148 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -55.93 -69.92 0.13 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.471 . . . . 65.04 110.889 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -53.42 -28.74 31.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 71.34 110.868 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -65.96 -59.88 3.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 70.34 110.884 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.5 p -69.89 -179.24 1.78 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 62.45 111.108 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -163.23 -44.2 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.709 -0.758 . . . . 74.32 112.463 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.3 pttp . . . . . 0 C--N 1.329 -0.296 0 CA-C-O 120.756 0.313 . . . . 75.02 110.922 -179.983 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 141.26 -24.67 2.52 Favored Glycine 0 N--CA 1.451 -0.361 0 CA-C-N 115.219 -0.901 . . . . 63.33 112.486 178.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 33.9 mm -101.64 -25.35 3.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.839 0.352 . . . . 70.35 111.141 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.602 ' O ' HG22 ' A' ' 7' ' ' ILE . 58.6 mt -71.66 -25.23 24.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 51.01 111.123 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.3 -26.51 30.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 74.1 111.152 179.782 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -97.61 -19.48 24.88 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.748 -0.739 . . . . 44.1 112.504 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.602 HG22 ' O ' ' A' ' 4' ' ' ILE . 10.2 tp -54.56 -31.04 22.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.797 0.332 . . . . 65.3 111.071 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.649 ' O ' HG22 ' A' ' 11' ' ' ILE . 29.6 pt -75.05 -26.68 19.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 75.32 111.166 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.8 ttmm -82.62 -17.6 44.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 75.25 110.918 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 47.7 t -104.89 -24.3 4.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 65.23 111.124 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.649 HG22 ' O ' ' A' ' 8' ' ' ILE . 11.5 tt -51.72 -29.81 10.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 62.41 111.131 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 29.1 mmmt -72.18 -47.1 53.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 75.3 110.949 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.3 m -71.5 -26.47 62.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 75.42 110.901 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 23.3 tp -68.98 -48.84 62.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 74.54 110.864 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 53.4 mt -64.54 -25.21 37.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 72.43 111.101 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.23 -58.5 3.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 70.31 110.912 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -59.95 -39.9 87.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 70.43 110.891 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -54.41 -66.76 0.34 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 73.51 110.873 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 61.8 p -52.17 121.78 7.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 75.13 111.108 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -72.28 -37.38 59.28 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.754 -0.736 . . . . 62.03 112.46 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 40.7 mttm . . . . . 0 C--N 1.329 -0.323 0 CA-C-O 120.831 0.348 . . . . 64.04 110.853 -179.9 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 104.02 -19.75 42.76 Favored Glycine 0 N--CA 1.451 -0.334 0 CA-C-N 115.161 -0.927 . . . . 75.21 112.469 178.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 44.5 mm -101.36 -26.96 3.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.771 0.319 . . . . 73.45 111.148 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.649 ' O ' HG22 ' A' ' 7' ' ' ILE . 5.4 mp -88.83 -24.97 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 71.43 111.126 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.36 -24.98 34.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 64.34 111.078 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -97.0 -19.65 25.88 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.759 -0.734 . . . . 60.21 112.475 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.649 HG22 ' O ' ' A' ' 4' ' ' ILE . 10.6 tp -54.73 -30.55 22.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.765 0.317 . . . . 63.11 111.085 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.648 ' O ' HG22 ' A' ' 11' ' ' ILE . 29.5 pt -75.04 -26.72 19.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 63.2 111.17 179.798 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 27.3 ttpt -82.62 -17.59 44.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 70.41 110.914 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 62.5 t -104.89 -24.22 4.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 72.43 111.139 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.648 HG22 ' O ' ' A' ' 8' ' ' ILE . 12.3 tt -51.88 -29.72 11.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 74.34 111.112 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.19 -46.94 54.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 54.33 110.902 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 44.2 t -71.64 -26.62 62.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 55.1 110.876 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 23.2 tp -68.83 -48.61 63.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 73.21 110.924 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 54.8 mt -65.11 -25.26 37.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 75.24 111.186 179.768 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -66.61 -60.6 2.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 72.23 110.867 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -60.02 -40.05 87.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 72.05 110.956 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -54.49 -64.82 0.71 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.453 . . . . 72.05 110.866 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 79.2 p -52.58 160.37 0.88 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.478 . . . . 72.2 111.156 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -74.62 -31.35 58.72 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.772 -0.728 . . . . 33.13 112.489 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 18.1 pttp . . . . . 0 C--N 1.328 -0.336 0 CA-C-O 120.822 0.344 . . . . 64.23 110.906 179.996 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 147.75 -19.73 1.46 Allowed Glycine 0 N--CA 1.452 -0.294 0 CA-C-N 115.203 -0.908 . . . . 70.55 112.51 178.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 35.2 mm -98.71 -35.26 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.836 0.35 . . . . 75.12 111.136 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.61 ' O ' HG22 ' A' ' 7' ' ' ILE . 5.4 mp -75.98 -25.21 16.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 75.52 111.137 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.24 -25.11 31.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 60.21 111.094 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -98.55 -19.79 21.68 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.739 -0.743 . . . . 70.34 112.474 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.61 HG22 ' O ' ' A' ' 4' ' ' ILE . 9.9 tp -54.1 -32.28 22.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.809 0.338 . . . . 64.34 111.154 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.652 ' O ' HG22 ' A' ' 11' ' ' ILE . 29.6 pt -75.37 -26.67 18.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 71.14 111.123 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 69.5 mttt -82.59 -17.62 44.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 71.32 110.912 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 57.9 t -104.89 -24.22 4.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 73.54 111.082 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.652 HG22 ' O ' ' A' ' 8' ' ' ILE . 15.7 tt -51.86 -29.63 11.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 73.22 111.149 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.42 ' HD2' HG23 ' A' ' 11' ' ' ILE . 9.6 mptt -72.25 -47.09 52.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 74.1 110.902 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 67.0 m -71.49 -26.56 62.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 60.23 110.857 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 23.8 tp -68.1 -48.3 65.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 72.52 110.915 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 55.0 mt -64.59 -25.52 38.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 63.11 111.116 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -69.53 -58.88 3.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 53.2 110.888 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -58.23 -41.63 84.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 72.44 110.967 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -54.07 -66.85 0.32 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 75.14 110.911 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 70.8 p -52.2 120.87 5.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 73.45 111.155 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -53.45 -26.55 30.78 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.813 -0.708 . . . . 64.43 112.442 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 42.8 mtpt . . . . . 0 C--N 1.328 -0.35 0 CA-C-O 120.758 0.313 . . . . 73.51 110.882 -179.946 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 129.82 -33.47 2.95 Favored Glycine 0 N--CA 1.451 -0.312 0 CA-C-N 115.191 -0.913 . . . . 65.12 112.46 178.786 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 49.8 mm -117.17 -46.31 3.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.791 0.329 . . . . 72.34 111.143 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.637 ' O ' HG22 ' A' ' 7' ' ' ILE . 5.0 mp -80.45 -25.23 11.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 74.34 111.117 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.8 -25.06 33.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 73.53 111.098 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -97.47 -19.74 24.48 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.735 -0.745 . . . . 70.12 112.501 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.637 HG22 ' O ' ' A' ' 4' ' ' ILE . 10.7 tp -54.59 -31.12 23.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.803 0.335 . . . . 74.5 111.11 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.65 ' O ' HG22 ' A' ' 11' ' ' ILE . 29.6 pt -75.06 -26.76 19.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 70.41 111.148 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 31.9 mttm -82.5 -17.63 44.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 72.14 110.929 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.788 HG12 HD23 ' A' ' 14' ' ' LEU . 71.5 t -105.0 -23.87 4.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 75.3 111.118 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.65 HG22 ' O ' ' A' ' 8' ' ' ILE . 5.7 tt -52.14 -29.4 11.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 74.13 111.126 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.486 ' HD2' HG23 ' A' ' 11' ' ' ILE . 2.7 mptp? -71.48 -46.62 59.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 72.21 110.896 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 75.4 m -63.83 -26.85 68.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 54.33 110.879 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.788 HD23 HG12 ' A' ' 10' ' ' VAL . 3.5 mm? -76.01 -57.74 3.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 74.21 110.912 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 55.3 mt -54.42 -29.67 20.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 73.03 111.116 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.5 tm-20 -63.36 -68.77 0.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 73.34 110.887 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -52.3 -40.98 62.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 74.05 110.898 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -52.71 -66.98 0.29 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 74.4 110.901 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 74.1 p -52.4 147.28 8.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.129 -0.487 . . . . 73.24 111.113 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -92.88 41.44 2.72 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.783 -0.722 . . . . 60.43 112.503 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 28.5 mtmt . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 120.77 0.319 . . . . 75.44 110.879 -179.939 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.495 -0.242 . . . . 60.34 112.495 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 39.0 mm -100.17 -31.28 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.761 0.315 . . . . 73.01 111.085 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.617 ' O ' HG22 ' A' ' 7' ' ' ILE . 5.3 mp -73.5 -25.05 20.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 53.11 111.137 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.03 -25.0 32.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 74.44 111.121 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -100.49 -18.23 21.77 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.726 -0.75 . . . . 72.21 112.53 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.617 HG22 ' O ' ' A' ' 4' ' ' ILE . 8.7 tp -53.99 -32.39 22.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.78 0.324 . . . . 63.11 111.129 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 29.6 pt -73.74 -27.7 23.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 54.41 111.155 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 41.0 mttt -80.43 -18.67 48.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 73.25 110.914 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 61.5 t -99.29 -42.08 10.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 55.33 111.129 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 15.5 tt -51.69 -30.39 11.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.126 -0.488 . . . . 72.21 111.109 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -71.76 -43.49 65.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 72.32 110.879 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.3 m -74.79 -26.59 59.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 71.23 110.873 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 31.9 tp -67.57 -44.69 77.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 74.43 110.944 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 54.0 mt -66.34 -25.24 34.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 70.4 111.116 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -68.96 -58.5 4.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 73.32 110.866 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -58.67 -38.64 78.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 73.31 110.96 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -58.27 -67.08 0.38 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 74.41 110.876 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 59.3 p . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 42.4 111.18 -179.914 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.478 -0.249 . . . . 43.21 112.478 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 38.7 mm -90.29 -28.41 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.815 0.341 . . . . 73.41 111.143 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.608 ' O ' HG22 ' A' ' 7' ' ' ILE . 75.5 mt -73.53 -24.87 20.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 64.55 111.149 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.2 -25.05 32.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 64.34 111.092 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -101.07 -18.06 20.91 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.777 -0.725 . . . . 65.44 112.512 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.608 HG22 ' O ' ' A' ' 4' ' ' ILE . 8.3 tp -52.88 -33.47 19.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.811 0.339 . . . . 55.31 111.176 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.414 ' HA ' HG22 ' A' ' 11' ' ' ILE . 27.6 pt -71.64 -30.62 39.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 64.51 111.145 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -77.85 -19.21 55.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 62.44 110.878 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 29.5 t -97.38 -45.12 12.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 54.52 111.099 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.414 HG22 ' HA ' ' A' ' 8' ' ' ILE . 20.7 tt -51.67 -30.35 11.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.189 -0.459 . . . . 64.4 111.161 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 61.2 mmtt -72.04 -41.64 67.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 64.21 110.869 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.9 t -76.27 -26.55 56.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 73.22 110.88 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 44.5 tp -68.57 -44.43 74.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.116 -0.493 . . . . 74.25 110.912 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 55.7 mt -67.46 -25.75 34.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.448 . . . . 71.43 111.126 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -70.26 -58.88 3.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 55.02 110.928 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -57.15 -41.87 79.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 73.34 110.876 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -54.56 -66.96 0.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 74.05 110.875 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 63.9 p . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 63.22 111.131 -179.919 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.491 -0.243 . . . . 52.44 112.491 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.4 mp -92.62 -25.02 5.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.83 0.347 . . . . 73.25 111.136 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.612 ' O ' HG22 ' A' ' 7' ' ' ILE . 28.1 mm -72.25 -24.44 22.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 73.32 111.132 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.82 -24.84 33.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 52.32 111.085 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -101.18 -18.43 19.56 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.787 -0.721 . . . . 74.52 112.461 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.612 HG22 ' O ' ' A' ' 4' ' ' ILE . 8.5 tp -53.01 -33.16 19.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.82 0.343 . . . . 73.33 111.099 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.419 ' HA ' HG22 ' A' ' 11' ' ' ILE . 28.6 pt -71.84 -30.69 38.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 63.3 111.125 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.8 -19.18 55.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 64.24 110.885 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 39.4 t -97.41 -45.11 12.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.226 -0.443 . . . . 55.5 111.121 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.419 HG22 ' HA ' ' A' ' 8' ' ' ILE . 10.7 tp -51.67 -30.14 11.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 73.24 111.12 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -74.22 -51.53 15.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 74.3 110.916 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 34.3 p -56.84 -34.75 68.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 73.43 110.89 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.47 -58.53 4.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.103 -0.499 . . . . 34.4 110.963 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.413 ' O ' HG23 ' A' ' 19' ' ' THR . 56.4 mt -57.04 -27.81 27.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 61.5 111.107 179.805 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -61.14 -64.25 1.02 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 51.11 110.892 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -54.89 -29.24 55.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 54.42 110.968 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -71.79 -52.06 19.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 72.12 110.902 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.413 HG23 ' O ' ' A' ' 15' ' ' ILE . 52.2 p . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 75.35 111.082 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.516 -0.234 . . . . 70.21 112.516 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 50.7 mm -116.04 -26.16 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.732 0.301 . . . . 65.21 111.093 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.614 ' O ' HG22 ' A' ' 7' ' ' ILE . 70.6 mt -73.54 -24.74 20.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.226 -0.443 . . . . 75.04 111.118 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.12 -24.87 32.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 70.41 111.108 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -101.66 -17.74 20.49 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.751 -0.738 . . . . 73.43 112.496 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.614 HG22 ' O ' ' A' ' 4' ' ' ILE . 8.1 tp -52.86 -33.58 19.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.833 0.349 . . . . 70.53 111.147 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.415 ' HA ' HG22 ' A' ' 11' ' ' ILE . 28.8 pt -71.64 -30.66 39.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 74.21 111.149 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 21.6 ttmt -77.62 -19.3 55.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 71.11 110.913 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 61.6 t -97.12 -45.4 12.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 75.31 111.154 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.415 HG22 ' HA ' ' A' ' 8' ' ' ILE . 6.9 tt -51.69 -30.26 11.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 74.5 111.106 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 53.1 mmtt -72.56 -38.83 67.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 73.32 110.917 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.0 m -70.13 -36.71 74.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 34.14 110.867 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -64.58 -27.21 68.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.099 -0.501 . . . . 74.45 110.922 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 49.2 mt -86.11 -35.65 9.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 65.21 111.163 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 20.4 tp10 -62.62 -43.29 99.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 73.43 110.928 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -71.98 -33.46 68.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 74.0 110.873 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -69.55 -62.18 1.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.436 . . . . 72.41 110.882 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 48.4 p . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.48 . . . . 70.43 111.134 -179.931 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.489 -0.244 . . . . 71.32 112.489 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 43.0 mm -91.98 -32.49 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.794 0.33 . . . . 73.43 111.092 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.608 ' O ' HG22 ' A' ' 7' ' ' ILE . 5.3 mp -73.53 -24.88 20.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 63.03 111.113 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.09 -24.82 32.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 74.33 111.113 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -101.63 -17.63 20.88 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.682 -0.771 . . . . 73.52 112.529 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.608 HG22 ' O ' ' A' ' 4' ' ' ILE . 8.1 tp -52.99 -33.52 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.847 0.356 . . . . 75.31 111.135 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.417 ' HA ' HG22 ' A' ' 11' ' ' ILE . 28.1 pt -71.62 -30.61 39.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 53.21 111.169 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.6 tttt -77.8 -19.22 55.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 74.21 110.887 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 57.3 t -97.22 -46.47 12.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 74.32 111.133 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.417 HG22 ' HA ' ' A' ' 8' ' ' ILE . 14.2 tt -51.71 -30.08 11.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 74.31 111.152 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.1 mtpp -82.68 -49.19 10.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 73.14 110.879 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 30.3 t -57.98 -35.1 70.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 71.22 110.846 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.23 -53.86 26.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 54.54 110.939 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.401 ' O ' HG23 ' A' ' 19' ' ' THR . 55.3 mt -60.28 -27.3 39.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 43.1 111.141 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -64.61 -61.41 2.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 64.11 110.913 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -56.66 -27.36 58.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 71.2 110.912 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -73.72 -51.98 14.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 74.15 110.907 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.401 HG23 ' O ' ' A' ' 15' ' ' ILE . 52.5 p . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 74.01 111.112 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.501 -0.24 . . . . 50.01 112.501 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 36.2 mm -105.23 -34.85 3.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.802 0.334 . . . . 71.43 111.173 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.621 ' O ' HG22 ' A' ' 7' ' ' ILE . 73.6 mt -73.43 -25.04 20.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 65.31 111.174 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.69 -25.01 33.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 72.01 111.099 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -100.56 -18.22 21.62 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.753 -0.737 . . . . 73.34 112.504 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.621 HG22 ' O ' ' A' ' 4' ' ' ILE . 9.1 tp -53.98 -32.58 22.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.748 0.309 . . . . 74.0 111.104 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 26.9 pt -73.51 -27.69 23.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 75.21 111.111 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 20.3 ttpp -80.53 -18.63 47.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 72.01 110.901 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.644 HG12 HD23 ' A' ' 14' ' ' LEU . 47.8 t -99.3 -42.78 11.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 72.12 111.14 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 10.9 tp -51.66 -30.37 11.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 64.55 111.129 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -74.05 -43.66 57.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 74.12 110.911 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.5 t -66.55 -26.7 67.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.216 -0.447 . . . . 75.12 110.853 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.644 HD23 HG12 ' A' ' 10' ' ' VAL . 2.6 mm? -75.92 -59.23 2.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 65.23 110.9 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 55.4 mt -55.64 -26.6 20.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 51.13 111.138 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.39 -63.12 1.27 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 63.45 110.89 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.43 -28.98 68.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 72.42 110.946 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.572 ' CE2' HD12 ' A' ' 14' ' ' LEU . 1.9 m-85 -55.47 -64.55 0.81 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 61.21 110.856 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 43.8 p . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 72.11 111.152 -179.929 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.495 -0.242 . . . . 63.04 112.495 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 43.5 mm -100.05 -34.73 4.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.781 0.324 . . . . 63.43 111.134 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.628 ' O ' HG22 ' A' ' 7' ' ' ILE . 5.4 mp -76.23 -24.79 16.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 72.21 111.103 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.97 -24.91 32.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 71.44 111.12 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -99.94 -18.26 22.99 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.733 -0.746 . . . . 74.42 112.484 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.628 HG22 ' O ' ' A' ' 4' ' ' ILE . 9.2 tp -54.03 -32.35 22.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.847 0.356 . . . . 73.22 111.165 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 29.4 pt -73.75 -27.54 23.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 45.24 111.137 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.7 mmpt? -80.68 -18.56 47.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 54.13 110.917 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 44.0 t -99.49 -42.53 10.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 75.3 111.099 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 20.2 tt -51.69 -30.06 11.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.457 . . . . 72.42 111.12 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.49 -43.86 30.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 72.4 110.876 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.9 m -64.18 -35.74 81.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 72.13 110.834 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.38 -56.88 7.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.108 -0.496 . . . . 75.22 110.895 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 60.7 mt -57.21 -26.13 24.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 73.14 111.144 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -64.22 -63.96 1.01 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 63.43 110.909 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -53.54 -29.0 34.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 73.12 110.903 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -70.9 -69.86 0.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 74.45 110.879 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 43.4 p . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 74.53 111.109 -179.923 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.466 -0.254 . . . . 70.34 112.466 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 37.1 mm -95.89 -30.72 4.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.872 0.368 . . . . 74.25 111.179 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.628 ' O ' HG22 ' A' ' 7' ' ' ILE . 5.4 mp -76.63 -24.7 15.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 73.12 111.116 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.9 -24.98 32.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 53.32 111.077 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -99.63 -18.51 23.01 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.774 -0.726 . . . . 61.11 112.529 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.628 HG22 ' O ' ' A' ' 4' ' ' ILE . 9.3 tp -54.52 -29.5 20.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.77 0.319 . . . . 61.12 111.131 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 26.5 pt -76.16 -27.52 17.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 73.22 111.132 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.91 -18.44 47.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.14 -0.482 . . . . 74.44 110.936 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.648 HG12 HD23 ' A' ' 14' ' ' LEU . 60.3 t -99.7 -42.4 10.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 73.21 111.143 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 20.4 tt -51.7 -30.04 11.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 73.14 111.156 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 27.1 mmtp -71.12 -41.08 71.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 73.31 110.873 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.5 t -70.24 -26.53 63.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 42.4 110.862 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.648 HD23 HG12 ' A' ' 10' ' ' VAL . 3.5 mm? -72.45 -56.74 4.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.11 -0.496 . . . . 62.02 110.935 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 56.1 mt -54.54 -29.98 21.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 74.14 111.121 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -66.17 -58.54 5.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 60.02 110.854 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -65.19 -30.31 71.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 70.45 110.885 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.454 ' CE2' HD12 ' A' ' 14' ' ' LEU . 2.6 m-85 -57.43 -65.12 0.68 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 73.2 110.896 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 30.4 p . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 65.32 111.166 -179.97 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.521 -0.232 . . . . 72.13 112.521 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 33.5 mm -115.23 -25.28 3.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.797 0.332 . . . . 73.41 111.114 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.621 ' O ' HG22 ' A' ' 7' ' ' ILE . 5.3 mp -99.65 -24.69 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 73.24 111.147 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.83 -24.86 30.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 35.31 111.102 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -97.92 -18.47 27.14 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.675 -0.774 . . . . 72.01 112.485 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.621 HG22 ' O ' ' A' ' 4' ' ' ILE . 9.7 tp -53.97 -31.88 21.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.835 0.35 . . . . 64.2 111.129 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 28.9 pt -73.76 -28.15 23.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 64.53 111.092 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.8 ttmm -80.62 -18.35 48.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 50.2 110.885 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 71.9 t -99.66 -42.69 10.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.24 -0.436 . . . . 72.2 111.105 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 11.9 tt -51.73 -30.35 11.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 73.22 111.118 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.0 mmmt -68.22 -38.83 82.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 75.51 110.935 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.2 t -68.21 -38.05 81.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 74.21 110.888 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -66.43 -49.34 67.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 75.13 110.949 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 68.1 mt -65.12 -31.23 53.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 74.31 111.166 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -57.21 -70.2 0.13 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 73.14 110.85 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.66 -30.76 33.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 75.24 110.894 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -63.91 -59.01 5.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 74.04 110.869 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 31.1 p . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 45.23 111.113 -179.902 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.46 -0.256 . . . . 71.31 112.46 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 35.3 mm -89.6 -25.02 5.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.82 0.343 . . . . 74.24 111.115 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.629 ' O ' HG22 ' A' ' 7' ' ' ILE . 45.2 mm -67.43 -24.45 31.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 73.43 111.129 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.64 -24.87 31.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.481 . . . . 35.15 111.151 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -97.86 -19.17 25.19 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.719 -0.753 . . . . 73.23 112.499 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.629 HG22 ' O ' ' A' ' 4' ' ' ILE . 9.5 tp -54.38 -30.96 21.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.789 0.328 . . . . 63.31 111.147 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 29.1 pt -74.76 -27.36 20.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 64.43 111.104 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.2 ttmt -81.27 -18.27 46.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 74.42 110.906 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 67.2 t -100.26 -41.69 9.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 61.44 111.125 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 10.4 tp -51.66 -30.35 11.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 65.33 111.114 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 30.7 mmtp -75.09 -44.51 47.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 75.33 110.954 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.7 m -67.29 -29.87 69.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 74.21 110.896 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.578 HD22 ' CE2' ' A' ' 18' ' ' PHE . 2.5 mt -64.66 -51.02 64.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.081 -0.509 . . . . 74.21 110.852 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.4 ' O ' HG23 ' A' ' 19' ' ' THR . 55.1 mt -52.08 -40.68 30.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 71.51 111.13 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -60.63 -61.01 2.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 72.01 110.926 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -58.23 -28.69 65.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 72.41 110.949 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.578 ' CE2' HD22 ' A' ' 14' ' ' LEU . 0.8 OUTLIER -71.05 -48.74 51.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 74.11 110.897 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.4 HG23 ' O ' ' A' ' 15' ' ' ILE . 34.9 p . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 52.34 111.154 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.496 -0.242 . . . . 61.12 112.496 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 27.5 mm -107.72 -44.18 6.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.827 0.346 . . . . 64.4 111.126 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.64 ' O ' HG22 ' A' ' 7' ' ' ILE . 5.3 mp -80.49 -25.3 11.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 72.34 111.115 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.98 -25.29 37.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 70.44 111.071 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.512 ' O ' HG23 ' A' ' 10' ' ' VAL . . . -97.69 -22.92 14.8 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.765 -0.731 . . . . 70.2 112.464 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.64 HG22 ' O ' ' A' ' 4' ' ' ILE . 10.4 tp -52.47 -28.99 12.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.794 0.33 . . . . 62.34 111.104 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 26.6 pt -87.82 -27.56 5.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 34.13 111.098 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 43.7 mttt -97.99 18.46 15.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 73.21 110.894 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 6' ' ' GLY . 84.6 t -135.88 -41.25 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 54.0 111.155 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.8 tp -51.76 -31.7 13.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 52.32 111.14 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.8 mttt -70.54 -41.85 71.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 75.42 110.873 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 9.6 p -76.06 -26.76 56.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 72.44 110.866 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 40.1 tp -67.77 -43.05 80.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 72.14 110.896 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 56.6 mt -68.48 -27.44 36.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 51.53 111.1 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -67.26 -59.32 3.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 64.12 110.877 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -57.9 -41.02 81.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 64.22 110.894 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -54.54 -66.92 0.32 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 74.51 110.894 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 65.1 p . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.125 -0.489 . . . . 71.21 111.139 -179.897 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 N-CA-C 112.469 -0.252 . . . . 53.44 112.469 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 44.4 mm -105.59 -47.01 9.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.799 0.333 . . . . 63.53 111.152 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.629 ' O ' HG22 ' A' ' 7' ' ' ILE . 5.4 mp -79.11 -25.05 12.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 73.4 111.095 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.08 -25.09 32.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 70.15 111.068 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -97.84 -19.89 23.11 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.741 -0.743 . . . . 71.33 112.497 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.629 HG22 ' O ' ' A' ' 4' ' ' ILE . 10.1 tp -54.37 -31.84 23.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.807 0.337 . . . . 73.24 111.115 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.649 ' O ' HG22 ' A' ' 11' ' ' ILE . 2.3 pp -75.11 -26.57 19.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 54.42 111.152 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.4 mtpm? -82.56 -17.66 44.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 62.42 110.918 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 43.8 t -105.04 -24.15 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 75.53 111.132 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.649 HG22 ' O ' ' A' ' 8' ' ' ILE . 10.7 tp -51.77 -29.82 11.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 75.02 111.144 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.14 -47.38 51.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.47 . . . . 64.4 110.904 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 46.1 t -70.97 -26.65 63.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 70.33 110.878 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 26.5 tp -67.92 -48.73 65.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.115 -0.493 . . . . 74.14 110.928 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 54.1 mt -63.62 -26.27 40.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 61.15 111.095 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -68.46 -60.94 2.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 62.52 110.945 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -55.68 -41.79 74.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.489 . . . . 61.41 110.949 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -54.8 -68.06 0.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 73.23 110.86 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 69.9 p . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 74.44 111.126 -179.87 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.483 -0.247 . . . . 75.2 112.483 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.4 mp -101.36 -47.76 11.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.824 0.345 . . . . 74.14 111.119 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.592 ' O ' HG22 ' A' ' 7' ' ' ILE . 5.3 mp -74.41 -25.38 19.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 63.32 111.089 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.87 -25.01 30.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 72.01 111.094 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -98.86 -19.56 21.64 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.729 -0.748 . . . . 54.3 112.495 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.592 HG22 ' O ' ' A' ' 4' ' ' ILE . 9.4 tp -54.05 -32.93 23.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.832 0.348 . . . . 73.33 111.148 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.634 ' O ' HG22 ' A' ' 11' ' ' ILE . 2.3 pp -75.31 -26.58 18.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 74.44 111.079 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.9 ttpp -82.62 -17.62 44.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 63.43 110.861 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 62.0 t -104.92 -24.24 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 70.23 111.158 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.634 HG22 ' O ' ' A' ' 8' ' ' ILE . 20.8 tt -51.72 -29.82 10.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 73.04 111.135 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -75.15 -48.37 23.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 64.4 110.863 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 49.4 m -57.02 -35.72 69.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 34.43 110.839 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.03 -58.89 3.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.098 -0.501 . . . . 54.55 110.892 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 56.2 mt -59.77 -25.34 31.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 51.1 111.11 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 53.8 tt0 -57.71 -69.86 0.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 43.52 110.897 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -53.98 -29.01 41.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 74.15 110.866 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -65.86 -65.94 0.61 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 71.13 110.861 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 31.2 p . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 72.21 111.178 -179.92 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.47 -0.252 . . . . 64.14 112.47 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.4 mp -104.04 -47.5 10.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.81 0.338 . . . . 51.3 111.136 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.598 ' O ' HG22 ' A' ' 7' ' ' ILE . 5.3 mp -75.06 -25.07 18.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 64.23 111.142 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -84.31 -25.03 29.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 44.42 111.08 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -98.51 -19.37 23.08 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.746 -0.74 . . . . 75.33 112.466 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.598 HG22 ' O ' ' A' ' 4' ' ' ILE . 9.6 tp -54.09 -32.73 23.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.802 0.334 . . . . 74.4 111.157 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.628 ' O ' HG22 ' A' ' 11' ' ' ILE . 2.1 pp -75.13 -26.62 19.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 72.42 111.116 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.8 ttpt -82.66 -17.61 43.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 72.21 110.83 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 57.9 t -104.96 -24.27 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 55.24 111.12 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.628 HG22 ' O ' ' A' ' 8' ' ' ILE . 8.0 tt -51.72 -29.84 10.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 63.41 111.169 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.3 mttt -75.32 -59.32 2.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 71.34 110.886 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 74.7 m -56.97 -29.74 63.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 65.24 110.827 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 57.7 tp -70.47 -59.5 2.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 72.23 110.877 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 61.0 mt -59.62 -26.69 35.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 72.15 111.128 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 -55.25 -71.27 0.09 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 74.2 110.918 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.26 -30.21 26.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 73.24 110.911 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -65.1 -54.62 27.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 74.21 110.861 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 31.0 p . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 73.34 111.164 -179.949 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.497 -0.241 . . . . 62.01 112.497 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 40.3 mm -97.49 -25.61 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.786 0.327 . . . . 60.3 111.122 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.648 ' O ' HG22 ' A' ' 7' ' ' ILE . 5.1 mp -98.63 -25.15 4.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 73.45 111.102 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.37 -25.06 34.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 41.24 111.072 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -97.28 -19.77 24.85 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.724 -0.751 . . . . 64.3 112.458 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.648 HG22 ' O ' ' A' ' 4' ' ' ILE . 10.7 tp -54.62 -30.79 22.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.762 0.315 . . . . 75.03 111.127 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.65 ' O ' HG22 ' A' ' 11' ' ' ILE . 29.7 pt -75.08 -26.73 19.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 73.4 111.081 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.2 ttpp -82.58 -17.63 44.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 73.44 110.868 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 48.7 t -104.91 -24.21 4.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 63.22 111.151 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.65 HG22 ' O ' ' A' ' 8' ' ' ILE . 17.5 tt -51.82 -29.77 11.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 62.25 111.118 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.2 tppt? -72.41 -48.22 43.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 51.01 110.923 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 59.5 m -70.24 -26.47 63.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 73.22 110.863 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 25.6 tp -68.28 -49.61 59.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.478 . . . . 73.12 110.894 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 54.9 mt -63.66 -25.42 38.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 75.11 111.144 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -70.06 -59.46 2.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 33.4 110.91 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -57.58 -41.5 81.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 75.44 110.91 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -54.03 -66.6 0.37 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 71.25 110.893 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 58.0 p . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 60.32 111.135 -179.882 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.478 -0.249 . . . . 74.31 112.478 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.4 mp -95.51 -32.05 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.839 0.352 . . . . 72.1 111.15 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.597 ' O ' HG22 ' A' ' 7' ' ' ILE . 58.7 mt -73.02 -25.36 21.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 75.25 111.133 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.76 -25.23 30.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 74.04 111.107 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -98.37 -19.96 21.57 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.749 -0.738 . . . . 72.41 112.469 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.597 HG22 ' O ' ' A' ' 4' ' ' ILE . 9.2 tp -54.17 -32.5 23.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.774 0.321 . . . . 70.01 111.14 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.636 ' O ' HG22 ' A' ' 11' ' ' ILE . 29.6 pt -75.15 -26.65 19.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 62.31 111.113 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 50.1 mttt -82.67 -17.57 44.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 61.23 110.893 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 22.2 t -104.82 -24.55 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.274 -0.421 . . . . 73.31 111.152 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.636 HG22 ' O ' ' A' ' 8' ' ' ILE . 18.9 tt -51.71 -29.86 10.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 64.12 111.135 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.611 ' HD2' HG23 ' A' ' 11' ' ' ILE . 5.1 mptp? -72.14 -50.38 28.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 72.11 110.863 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 28.2 t -55.33 -32.67 62.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 72.33 110.842 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.2 -57.7 4.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 75.13 110.88 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 57.6 mt -60.91 -26.72 39.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 73.2 111.148 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -55.93 -69.92 0.13 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.471 . . . . 65.04 110.889 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -53.42 -28.74 31.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 71.34 110.868 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -65.96 -59.88 3.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 70.34 110.884 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.5 p . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 62.45 111.108 -179.888 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.486 -0.246 . . . . 63.33 112.486 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 33.9 mm -101.64 -25.35 3.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.839 0.352 . . . . 70.35 111.141 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.602 ' O ' HG22 ' A' ' 7' ' ' ILE . 58.6 mt -71.66 -25.23 24.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 51.01 111.123 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.3 -26.51 30.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 74.1 111.152 179.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -97.61 -19.48 24.88 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.748 -0.739 . . . . 44.1 112.504 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.602 HG22 ' O ' ' A' ' 4' ' ' ILE . 10.2 tp -54.56 -31.04 22.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.797 0.332 . . . . 65.3 111.071 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.649 ' O ' HG22 ' A' ' 11' ' ' ILE . 29.6 pt -75.05 -26.68 19.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 75.32 111.166 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.8 ttmm -82.62 -17.6 44.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 75.25 110.918 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 47.7 t -104.89 -24.3 4.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 65.23 111.124 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.649 HG22 ' O ' ' A' ' 8' ' ' ILE . 11.5 tt -51.72 -29.81 10.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 62.41 111.131 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 29.1 mmmt -72.18 -47.1 53.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 75.3 110.949 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.3 m -71.5 -26.47 62.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 75.42 110.901 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 23.3 tp -68.98 -48.84 62.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 74.54 110.864 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 53.4 mt -64.54 -25.21 37.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 72.43 111.101 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.23 -58.5 3.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 70.31 110.912 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -59.95 -39.9 87.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 70.43 110.891 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -54.41 -66.76 0.34 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 73.51 110.873 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 61.8 p . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 75.13 111.108 -179.924 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.469 -0.253 . . . . 75.21 112.469 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 44.5 mm -101.36 -26.96 3.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.771 0.319 . . . . 73.45 111.148 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.649 ' O ' HG22 ' A' ' 7' ' ' ILE . 5.4 mp -88.83 -24.97 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 71.43 111.126 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.36 -24.98 34.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 64.34 111.078 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -97.0 -19.65 25.88 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.759 -0.734 . . . . 60.21 112.475 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.649 HG22 ' O ' ' A' ' 4' ' ' ILE . 10.6 tp -54.73 -30.55 22.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.765 0.317 . . . . 63.11 111.085 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.648 ' O ' HG22 ' A' ' 11' ' ' ILE . 29.5 pt -75.04 -26.72 19.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 63.2 111.17 179.798 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 27.3 ttpt -82.62 -17.59 44.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 70.41 110.914 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 62.5 t -104.89 -24.22 4.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 72.43 111.139 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.648 HG22 ' O ' ' A' ' 8' ' ' ILE . 12.3 tt -51.88 -29.72 11.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 74.34 111.112 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.19 -46.94 54.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 54.33 110.902 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 44.2 t -71.64 -26.62 62.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 55.1 110.876 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 23.2 tp -68.83 -48.61 63.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 73.21 110.924 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 54.8 mt -65.11 -25.26 37.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 75.24 111.186 179.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -66.61 -60.6 2.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 72.23 110.867 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -60.02 -40.05 87.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 72.05 110.956 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -54.49 -64.82 0.71 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.453 . . . . 72.05 110.866 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 79.2 p . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.478 . . . . 72.2 111.156 -179.932 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.51 -0.236 . . . . 70.55 112.51 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 35.2 mm -98.71 -35.26 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.836 0.35 . . . . 75.12 111.136 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.61 ' O ' HG22 ' A' ' 7' ' ' ILE . 5.4 mp -75.98 -25.21 16.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 75.52 111.137 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.24 -25.11 31.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 60.21 111.094 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -98.55 -19.79 21.68 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.739 -0.743 . . . . 70.34 112.474 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.61 HG22 ' O ' ' A' ' 4' ' ' ILE . 9.9 tp -54.1 -32.28 22.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.809 0.338 . . . . 64.34 111.154 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.652 ' O ' HG22 ' A' ' 11' ' ' ILE . 29.6 pt -75.37 -26.67 18.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 71.14 111.123 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 69.5 mttt -82.59 -17.62 44.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 71.32 110.912 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 57.9 t -104.89 -24.22 4.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 73.54 111.082 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.652 HG22 ' O ' ' A' ' 8' ' ' ILE . 15.7 tt -51.86 -29.63 11.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 73.22 111.149 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.42 ' HD2' HG23 ' A' ' 11' ' ' ILE . 9.6 mptt -72.25 -47.09 52.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 74.1 110.902 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 67.0 m -71.49 -26.56 62.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 60.23 110.857 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 23.8 tp -68.1 -48.3 65.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 72.52 110.915 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 55.0 mt -64.59 -25.52 38.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 63.11 111.116 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -69.53 -58.88 3.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 53.2 110.888 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -58.23 -41.63 84.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 72.44 110.967 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -54.07 -66.85 0.32 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 75.14 110.911 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 70.8 p . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 73.45 111.155 -179.945 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.46 -0.256 . . . . 65.12 112.46 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 49.8 mm -117.17 -46.31 3.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.791 0.329 . . . . 72.34 111.143 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.637 ' O ' HG22 ' A' ' 7' ' ' ILE . 5.0 mp -80.45 -25.23 11.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 74.34 111.117 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.8 -25.06 33.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 73.53 111.098 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -97.47 -19.74 24.48 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.735 -0.745 . . . . 70.12 112.501 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.637 HG22 ' O ' ' A' ' 4' ' ' ILE . 10.7 tp -54.59 -31.12 23.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.803 0.335 . . . . 74.5 111.11 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.65 ' O ' HG22 ' A' ' 11' ' ' ILE . 29.6 pt -75.06 -26.76 19.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 70.41 111.148 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 31.9 mttm -82.5 -17.63 44.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 72.14 110.929 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.788 HG12 HD23 ' A' ' 14' ' ' LEU . 71.5 t -105.0 -23.87 4.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 75.3 111.118 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.65 HG22 ' O ' ' A' ' 8' ' ' ILE . 5.7 tt -52.14 -29.4 11.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 74.13 111.126 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.486 ' HD2' HG23 ' A' ' 11' ' ' ILE . 2.7 mptp? -71.48 -46.62 59.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 72.21 110.896 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 75.4 m -63.83 -26.85 68.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 54.33 110.879 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.788 HD23 HG12 ' A' ' 10' ' ' VAL . 3.5 mm? -76.01 -57.74 3.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 74.21 110.912 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 55.3 mt -54.42 -29.67 20.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 73.03 111.116 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.5 tm-20 -63.36 -68.77 0.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 73.34 110.887 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -52.3 -40.98 62.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 74.05 110.898 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -52.71 -66.98 0.29 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 74.4 110.901 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 74.1 p . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.129 -0.487 . . . . 73.24 111.113 -179.874 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -171.49 -46.73 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 CA-C-N 115.209 -0.905 . . . . 60.34 112.495 178.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 39.0 mm -100.17 -31.28 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.761 0.315 . . . . 73.01 111.085 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.617 ' O ' HG22 ' A' ' 7' ' ' ILE . 5.3 mp -73.5 -25.05 20.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 53.11 111.137 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.03 -25.0 32.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 74.44 111.121 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -100.49 -18.23 21.77 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.726 -0.75 . . . . 72.21 112.53 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.617 HG22 ' O ' ' A' ' 4' ' ' ILE . 8.7 tp -53.99 -32.39 22.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.78 0.324 . . . . 63.11 111.129 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 29.6 pt -73.74 -27.7 23.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 54.41 111.155 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 41.0 mttt -80.43 -18.67 48.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 73.25 110.914 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 61.5 t -99.29 -42.08 10.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 55.33 111.129 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 15.5 tt -51.69 -30.39 11.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.126 -0.488 . . . . 72.21 111.109 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -71.76 -43.49 65.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 72.32 110.879 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.3 m -74.79 -26.59 59.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 71.23 110.873 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 31.9 tp -67.57 -44.69 77.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 74.43 110.944 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 54.0 mt -66.34 -25.24 34.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 70.4 111.116 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -68.96 -58.5 4.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 73.32 110.866 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -58.67 -38.64 78.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 73.31 110.96 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -58.27 -67.08 0.38 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 74.41 110.876 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 59.3 p -52.28 126.83 20.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 42.4 111.18 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -104.91 42.5 1.88 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.754 -0.736 . . . . 65.14 112.483 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.337 0 CA-C-O 120.767 0.318 . . . . 74.44 110.847 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 106.93 -73.43 0.21 Allowed Glycine 0 N--CA 1.451 -0.311 0 CA-C-N 115.173 -0.921 . . . . 43.21 112.478 178.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 38.7 mm -90.29 -28.41 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.815 0.341 . . . . 73.41 111.143 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.608 ' O ' HG22 ' A' ' 7' ' ' ILE . 75.5 mt -73.53 -24.87 20.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 64.55 111.149 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.2 -25.05 32.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 64.34 111.092 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -101.07 -18.06 20.91 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.777 -0.725 . . . . 65.44 112.512 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.608 HG22 ' O ' ' A' ' 4' ' ' ILE . 8.3 tp -52.88 -33.47 19.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.811 0.339 . . . . 55.31 111.176 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.414 ' HA ' HG22 ' A' ' 11' ' ' ILE . 27.6 pt -71.64 -30.62 39.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 64.51 111.145 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -77.85 -19.21 55.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 62.44 110.878 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 29.5 t -97.38 -45.12 12.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 54.52 111.099 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.414 HG22 ' HA ' ' A' ' 8' ' ' ILE . 20.7 tt -51.67 -30.35 11.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.189 -0.459 . . . . 64.4 111.161 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 61.2 mmtt -72.04 -41.64 67.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 64.21 110.869 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.9 t -76.27 -26.55 56.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 73.22 110.88 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 44.5 tp -68.57 -44.43 74.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.116 -0.493 . . . . 74.25 110.912 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 55.7 mt -67.46 -25.75 34.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.448 . . . . 71.43 111.126 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -70.26 -58.88 3.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 55.02 110.928 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -57.15 -41.87 79.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 73.34 110.876 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -54.56 -66.96 0.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 74.05 110.875 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 63.9 p -53.31 167.43 0.2 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 63.22 111.131 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -83.95 -38.9 9.8 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.715 -0.755 . . . . 43.31 112.444 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.2 mptt . . . . . 0 C--N 1.328 -0.327 0 CA-C-O 120.768 0.318 . . . . 64.22 110.839 -179.929 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 89.07 -47.05 3.32 Favored Glycine 0 N--CA 1.452 -0.291 0 CA-C-N 115.156 -0.929 . . . . 52.44 112.491 178.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.4 mp -92.62 -25.02 5.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.83 0.347 . . . . 73.25 111.136 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.612 ' O ' HG22 ' A' ' 7' ' ' ILE . 28.1 mm -72.25 -24.44 22.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 73.32 111.132 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.82 -24.84 33.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 52.32 111.085 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -101.18 -18.43 19.56 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.787 -0.721 . . . . 74.52 112.461 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.612 HG22 ' O ' ' A' ' 4' ' ' ILE . 8.5 tp -53.01 -33.16 19.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.82 0.343 . . . . 73.33 111.099 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.419 ' HA ' HG22 ' A' ' 11' ' ' ILE . 28.6 pt -71.84 -30.69 38.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 63.3 111.125 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.8 -19.18 55.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 64.24 110.885 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 39.4 t -97.41 -45.11 12.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.226 -0.443 . . . . 55.5 111.121 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.419 HG22 ' HA ' ' A' ' 8' ' ' ILE . 10.7 tp -51.67 -30.14 11.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 73.24 111.12 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -74.22 -51.53 15.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 74.3 110.916 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 34.3 p -56.84 -34.75 68.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 73.43 110.89 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.47 -58.53 4.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.103 -0.499 . . . . 34.4 110.963 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.413 ' O ' HG23 ' A' ' 19' ' ' THR . 56.4 mt -57.04 -27.81 27.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 61.5 111.107 179.805 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -61.14 -64.25 1.02 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 51.11 110.892 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -54.89 -29.24 55.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 54.42 110.968 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -71.79 -52.06 19.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 72.12 110.902 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.413 HG23 ' O ' ' A' ' 15' ' ' ILE . 52.2 p -74.9 160.04 31.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 75.35 111.082 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -80.42 -62.23 2.09 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.741 -0.742 . . . . 71.03 112.509 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.9 mmmt . . . . . 0 C--N 1.329 -0.302 0 CA-C-O 120.765 0.317 . . . . 71.55 110.933 179.981 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 131.29 -22.07 4.49 Favored Glycine 0 N--CA 1.451 -0.358 0 CA-C-N 115.136 -0.938 . . . . 70.21 112.516 178.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 50.7 mm -116.04 -26.16 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.732 0.301 . . . . 65.21 111.093 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.614 ' O ' HG22 ' A' ' 7' ' ' ILE . 70.6 mt -73.54 -24.74 20.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.226 -0.443 . . . . 75.04 111.118 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.12 -24.87 32.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 70.41 111.108 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -101.66 -17.74 20.49 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.751 -0.738 . . . . 73.43 112.496 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.614 HG22 ' O ' ' A' ' 4' ' ' ILE . 8.1 tp -52.86 -33.58 19.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.833 0.349 . . . . 70.53 111.147 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.415 ' HA ' HG22 ' A' ' 11' ' ' ILE . 28.8 pt -71.64 -30.66 39.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 74.21 111.149 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 21.6 ttmt -77.62 -19.3 55.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 71.11 110.913 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 61.6 t -97.12 -45.4 12.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 75.31 111.154 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.415 HG22 ' HA ' ' A' ' 8' ' ' ILE . 6.9 tt -51.69 -30.26 11.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 74.5 111.106 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 53.1 mmtt -72.56 -38.83 67.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 73.32 110.917 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.0 m -70.13 -36.71 74.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 34.14 110.867 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -64.58 -27.21 68.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.099 -0.501 . . . . 74.45 110.922 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 49.2 mt -86.11 -35.65 9.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 65.21 111.163 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 20.4 tp10 -62.62 -43.29 99.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 73.43 110.928 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -71.98 -33.46 68.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 74.0 110.873 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -69.55 -62.18 1.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.436 . . . . 72.41 110.882 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 48.4 p -56.15 164.22 1.34 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.48 . . . . 70.43 111.134 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.79 -49.0 45.49 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.784 -0.722 . . . . 72.51 112.507 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.339 0 CA-C-O 120.813 0.34 . . . . 72.42 110.935 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 137.39 -27.25 2.88 Favored Glycine 0 N--CA 1.451 -0.341 0 CA-C-N 115.182 -0.917 . . . . 71.32 112.489 178.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 43.0 mm -91.98 -32.49 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.794 0.33 . . . . 73.43 111.092 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.608 ' O ' HG22 ' A' ' 7' ' ' ILE . 5.3 mp -73.53 -24.88 20.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 63.03 111.113 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.09 -24.82 32.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 74.33 111.113 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -101.63 -17.63 20.88 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.682 -0.771 . . . . 73.52 112.529 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.608 HG22 ' O ' ' A' ' 4' ' ' ILE . 8.1 tp -52.99 -33.52 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.847 0.356 . . . . 75.31 111.135 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.417 ' HA ' HG22 ' A' ' 11' ' ' ILE . 28.1 pt -71.62 -30.61 39.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 53.21 111.169 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.6 tttt -77.8 -19.22 55.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 74.21 110.887 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 57.3 t -97.22 -46.47 12.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 74.32 111.133 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.417 HG22 ' HA ' ' A' ' 8' ' ' ILE . 14.2 tt -51.71 -30.08 11.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 74.31 111.152 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.1 mtpp -82.68 -49.19 10.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 73.14 110.879 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 30.3 t -57.98 -35.1 70.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 71.22 110.846 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.23 -53.86 26.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 54.54 110.939 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.401 ' O ' HG23 ' A' ' 19' ' ' THR . 55.3 mt -60.28 -27.3 39.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 43.1 111.141 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -64.61 -61.41 2.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 64.11 110.913 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -56.66 -27.36 58.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 71.2 110.912 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -73.72 -51.98 14.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 74.15 110.907 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.401 HG23 ' O ' ' A' ' 15' ' ' ILE . 52.5 p -75.27 112.87 11.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 74.01 111.112 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -85.29 53.68 4.79 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.719 -0.753 . . . . 71.3 112.482 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 32.5 mttp . . . . . 0 C--N 1.329 -0.302 0 CA-C-O 120.797 0.332 . . . . 74.11 110.949 -179.988 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 98.07 -19.74 53.3 Favored Glycine 0 N--CA 1.451 -0.345 0 CA-C-N 115.178 -0.919 . . . . 50.01 112.501 178.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 36.2 mm -105.23 -34.85 3.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.802 0.334 . . . . 71.43 111.173 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.621 ' O ' HG22 ' A' ' 7' ' ' ILE . 73.6 mt -73.43 -25.04 20.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 65.31 111.174 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.69 -25.01 33.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 72.01 111.099 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -100.56 -18.22 21.62 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.753 -0.737 . . . . 73.34 112.504 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.621 HG22 ' O ' ' A' ' 4' ' ' ILE . 9.1 tp -53.98 -32.58 22.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.748 0.309 . . . . 74.0 111.104 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 26.9 pt -73.51 -27.69 23.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 75.21 111.111 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 20.3 ttpp -80.53 -18.63 47.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 72.01 110.901 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.644 HG12 HD23 ' A' ' 14' ' ' LEU . 47.8 t -99.3 -42.78 11.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 72.12 111.14 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 10.9 tp -51.66 -30.37 11.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 64.55 111.129 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -74.05 -43.66 57.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 74.12 110.911 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.5 t -66.55 -26.7 67.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.216 -0.447 . . . . 75.12 110.853 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.644 HD23 HG12 ' A' ' 10' ' ' VAL . 2.6 mm? -75.92 -59.23 2.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 65.23 110.9 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 55.4 mt -55.64 -26.6 20.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 51.13 111.138 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.39 -63.12 1.27 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 63.45 110.89 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.43 -28.98 68.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 72.42 110.946 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.572 ' CE2' HD12 ' A' ' 14' ' ' LEU . 1.9 m-85 -55.47 -64.55 0.81 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 61.21 110.856 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 43.8 p -52.36 134.45 34.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 72.11 111.152 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -106.73 -32.95 3.43 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.754 -0.736 . . . . 70.13 112.486 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 36.7 mtmt . . . . . 0 C--N 1.328 -0.333 0 CA-C-O 120.835 0.35 . . . . 74.13 110.907 -179.963 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 150.52 -38.84 0.87 Allowed Glycine 0 N--CA 1.451 -0.32 0 CA-C-N 115.16 -0.927 . . . . 63.04 112.495 178.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 43.5 mm -100.05 -34.73 4.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.781 0.324 . . . . 63.43 111.134 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.628 ' O ' HG22 ' A' ' 7' ' ' ILE . 5.4 mp -76.23 -24.79 16.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 72.21 111.103 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.97 -24.91 32.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 71.44 111.12 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -99.94 -18.26 22.99 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.733 -0.746 . . . . 74.42 112.484 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.628 HG22 ' O ' ' A' ' 4' ' ' ILE . 9.2 tp -54.03 -32.35 22.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.847 0.356 . . . . 73.22 111.165 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 29.4 pt -73.75 -27.54 23.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 45.24 111.137 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.7 mmpt? -80.68 -18.56 47.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 54.13 110.917 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 44.0 t -99.49 -42.53 10.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 75.3 111.099 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 20.2 tt -51.69 -30.06 11.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.457 . . . . 72.42 111.12 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.49 -43.86 30.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 72.4 110.876 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.9 m -64.18 -35.74 81.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 72.13 110.834 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.38 -56.88 7.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.108 -0.496 . . . . 75.22 110.895 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 60.7 mt -57.21 -26.13 24.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 73.14 111.144 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -64.22 -63.96 1.01 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 63.43 110.909 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -53.54 -29.0 34.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 73.12 110.903 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -70.9 -69.86 0.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 74.45 110.879 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 43.4 p -51.92 -49.11 63.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 74.53 111.109 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 71.04 31.73 66.49 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.772 -0.728 . . . . 34.11 112.49 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.8 ptpt . . . . . 0 C--N 1.328 -0.342 0 CA-C-O 120.793 0.33 . . . . 72.22 110.904 -179.97 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' FME . . . . . 0.535 ' O1 ' HD13 ' A' ' 4' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 103.88 -54.31 0.67 Allowed Glycine 0 N--CA 1.452 -0.282 0 CA-C-N 115.202 -0.908 . . . . 70.34 112.466 178.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 37.1 mm -95.89 -30.72 4.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.872 0.368 . . . . 74.25 111.179 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.628 ' O ' HG22 ' A' ' 7' ' ' ILE . 5.4 mp -76.63 -24.7 15.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 73.12 111.116 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.9 -24.98 32.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 53.32 111.077 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -99.63 -18.51 23.01 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.774 -0.726 . . . . 61.11 112.529 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.628 HG22 ' O ' ' A' ' 4' ' ' ILE . 9.3 tp -54.52 -29.5 20.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.77 0.319 . . . . 61.12 111.131 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 26.5 pt -76.16 -27.52 17.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 73.22 111.132 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.91 -18.44 47.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.14 -0.482 . . . . 74.44 110.936 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.648 HG12 HD23 ' A' ' 14' ' ' LEU . 60.3 t -99.7 -42.4 10.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 73.21 111.143 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 20.4 tt -51.7 -30.04 11.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 73.14 111.156 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 27.1 mmtp -71.12 -41.08 71.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 73.31 110.873 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.5 t -70.24 -26.53 63.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 42.4 110.862 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.648 HD23 HG12 ' A' ' 10' ' ' VAL . 3.5 mm? -72.45 -56.74 4.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.11 -0.496 . . . . 62.02 110.935 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 56.1 mt -54.54 -29.98 21.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 74.14 111.121 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -66.17 -58.54 5.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 60.02 110.854 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -65.19 -30.31 71.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 70.45 110.885 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.454 ' CE2' HD12 ' A' ' 14' ' ' LEU . 2.6 m-85 -57.43 -65.12 0.68 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 73.2 110.896 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 30.4 p -57.12 -37.39 71.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 65.32 111.166 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 129.32 -28.38 4.06 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.741 -0.743 . . . . 53.24 112.477 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.0 pttp . . . . . 0 C--N 1.328 -0.334 0 CA-C-O 120.775 0.321 . . . . 62.21 110.91 -179.926 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 105.41 -26.27 22.16 Favored Glycine 0 N--CA 1.451 -0.335 0 CA-C-N 115.132 -0.94 . . . . 72.13 112.521 178.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 33.5 mm -115.23 -25.28 3.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.797 0.332 . . . . 73.41 111.114 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.621 ' O ' HG22 ' A' ' 7' ' ' ILE . 5.3 mp -99.65 -24.69 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 73.24 111.147 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.83 -24.86 30.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 35.31 111.102 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -97.92 -18.47 27.14 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.675 -0.774 . . . . 72.01 112.485 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.621 HG22 ' O ' ' A' ' 4' ' ' ILE . 9.7 tp -53.97 -31.88 21.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.835 0.35 . . . . 64.2 111.129 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 28.9 pt -73.76 -28.15 23.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 64.53 111.092 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.8 ttmm -80.62 -18.35 48.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 50.2 110.885 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 71.9 t -99.66 -42.69 10.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.24 -0.436 . . . . 72.2 111.105 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 11.9 tt -51.73 -30.35 11.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 73.22 111.118 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.0 mmmt -68.22 -38.83 82.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 75.51 110.935 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.2 t -68.21 -38.05 81.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 74.21 110.888 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -66.43 -49.34 67.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 75.13 110.949 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 68.1 mt -65.12 -31.23 53.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 74.31 111.166 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -57.21 -70.2 0.13 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 73.14 110.85 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.66 -30.76 33.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 75.24 110.894 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -63.91 -59.01 5.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 74.04 110.869 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 31.1 p -68.19 150.71 47.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 45.23 111.113 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -166.35 54.49 0.25 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.727 -0.749 . . . . 71.41 112.448 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.1 pptp? . . . . . 0 C--N 1.328 -0.332 0 CA-C-O 120.797 0.332 . . . . 64.12 110.887 179.997 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 79.33 -57.85 4.4 Favored Glycine 0 N--CA 1.451 -0.324 0 CA-C-N 115.219 -0.901 . . . . 71.31 112.46 178.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 35.3 mm -89.6 -25.02 5.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.82 0.343 . . . . 74.24 111.115 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.629 ' O ' HG22 ' A' ' 7' ' ' ILE . 45.2 mm -67.43 -24.45 31.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 73.43 111.129 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.64 -24.87 31.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.481 . . . . 35.15 111.151 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -97.86 -19.17 25.19 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.719 -0.753 . . . . 73.23 112.499 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.629 HG22 ' O ' ' A' ' 4' ' ' ILE . 9.5 tp -54.38 -30.96 21.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.789 0.328 . . . . 63.31 111.147 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 29.1 pt -74.76 -27.36 20.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 64.43 111.104 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.2 ttmt -81.27 -18.27 46.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 74.42 110.906 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 67.2 t -100.26 -41.69 9.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 61.44 111.125 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 10.4 tp -51.66 -30.35 11.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 65.33 111.114 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 30.7 mmtp -75.09 -44.51 47.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 75.33 110.954 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.7 m -67.29 -29.87 69.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 74.21 110.896 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.578 HD22 ' CE2' ' A' ' 18' ' ' PHE . 2.5 mt -64.66 -51.02 64.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.081 -0.509 . . . . 74.21 110.852 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.4 ' O ' HG23 ' A' ' 19' ' ' THR . 55.1 mt -52.08 -40.68 30.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 71.51 111.13 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -60.63 -61.01 2.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 72.01 110.926 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -58.23 -28.69 65.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 72.41 110.949 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.578 ' CE2' HD22 ' A' ' 14' ' ' LEU . 0.8 OUTLIER -71.05 -48.74 51.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 74.11 110.897 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.4 HG23 ' O ' ' A' ' 15' ' ' ILE . 34.9 p -81.03 115.35 20.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 52.34 111.154 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -132.4 29.03 3.37 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.749 -0.739 . . . . 32.34 112.455 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.1 mttt . . . . . 0 C--N 1.328 -0.349 0 CA-C-O 120.812 0.339 . . . . 73.04 110.867 -179.97 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 146.62 -24.49 1.66 Allowed Glycine 0 N--CA 1.451 -0.358 0 CA-C-N 115.196 -0.911 . . . . 61.12 112.496 178.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 27.5 mm -107.72 -44.18 6.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.827 0.346 . . . . 64.4 111.126 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.64 ' O ' HG22 ' A' ' 7' ' ' ILE . 5.3 mp -80.49 -25.3 11.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 72.34 111.115 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.98 -25.29 37.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 70.44 111.071 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.512 ' O ' HG23 ' A' ' 10' ' ' VAL . . . -97.69 -22.92 14.8 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.765 -0.731 . . . . 70.2 112.464 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.64 HG22 ' O ' ' A' ' 4' ' ' ILE . 10.4 tp -52.47 -28.99 12.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.794 0.33 . . . . 62.34 111.104 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 26.6 pt -87.82 -27.56 5.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 34.13 111.098 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 43.7 mttt -97.99 18.46 15.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 73.21 110.894 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 6' ' ' GLY . 84.6 t -135.88 -41.25 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 54.0 111.155 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.8 tp -51.76 -31.7 13.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 52.32 111.14 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.8 mttt -70.54 -41.85 71.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 75.42 110.873 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 9.6 p -76.06 -26.76 56.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 72.44 110.866 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 40.1 tp -67.77 -43.05 80.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 72.14 110.896 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 56.6 mt -68.48 -27.44 36.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 51.53 111.1 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -67.26 -59.32 3.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 64.12 110.877 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -57.9 -41.02 81.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 64.22 110.894 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -54.54 -66.92 0.32 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 74.51 110.894 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 65.1 p -52.81 156.21 2.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.125 -0.489 . . . . 71.21 111.139 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -105.64 -32.92 3.73 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.72 -0.753 . . . . 44.53 112.508 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 28.9 mmmt . . . . . 0 C--N 1.329 -0.314 0 CA-C-O 120.782 0.325 . . . . 50.21 110.862 -179.931 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 110.88 -25.54 14.29 Favored Glycine 0 N--CA 1.452 -0.263 0 CA-C-N 115.167 -0.924 . . . . 53.44 112.469 178.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 44.4 mm -105.59 -47.01 9.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.799 0.333 . . . . 63.53 111.152 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.629 ' O ' HG22 ' A' ' 7' ' ' ILE . 5.4 mp -79.11 -25.05 12.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 73.4 111.095 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.08 -25.09 32.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 70.15 111.068 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -97.84 -19.89 23.11 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.741 -0.743 . . . . 71.33 112.497 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.629 HG22 ' O ' ' A' ' 4' ' ' ILE . 10.1 tp -54.37 -31.84 23.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.807 0.337 . . . . 73.24 111.115 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.649 ' O ' HG22 ' A' ' 11' ' ' ILE . 2.3 pp -75.11 -26.57 19.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 54.42 111.152 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.4 mtpm? -82.56 -17.66 44.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 62.42 110.918 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 43.8 t -105.04 -24.15 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 75.53 111.132 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.649 HG22 ' O ' ' A' ' 8' ' ' ILE . 10.7 tp -51.77 -29.82 11.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 75.02 111.144 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.14 -47.38 51.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.47 . . . . 64.4 110.904 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 46.1 t -70.97 -26.65 63.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 70.33 110.878 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 26.5 tp -67.92 -48.73 65.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.115 -0.493 . . . . 74.14 110.928 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 54.1 mt -63.62 -26.27 40.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 61.15 111.095 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -68.46 -60.94 2.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 62.52 110.945 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -55.68 -41.79 74.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.489 . . . . 61.41 110.949 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -54.8 -68.06 0.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 73.23 110.86 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 69.9 p -52.2 152.75 3.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 74.44 111.126 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -112.37 -27.8 3.77 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.668 -0.777 . . . . 65.25 112.504 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 43.3 mttm . . . . . 0 C--N 1.329 -0.323 0 CA-C-O 120.776 0.322 . . . . 74.35 110.896 -180.0 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 132.87 -32.67 2.74 Favored Glycine 0 N--CA 1.451 -0.308 0 CA-C-N 115.192 -0.913 . . . . 75.2 112.483 178.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.4 mp -101.36 -47.76 11.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.824 0.345 . . . . 74.14 111.119 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.592 ' O ' HG22 ' A' ' 7' ' ' ILE . 5.3 mp -74.41 -25.38 19.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 63.32 111.089 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.87 -25.01 30.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 72.01 111.094 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -98.86 -19.56 21.64 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.729 -0.748 . . . . 54.3 112.495 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.592 HG22 ' O ' ' A' ' 4' ' ' ILE . 9.4 tp -54.05 -32.93 23.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.832 0.348 . . . . 73.33 111.148 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.634 ' O ' HG22 ' A' ' 11' ' ' ILE . 2.3 pp -75.31 -26.58 18.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 74.44 111.079 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.9 ttpp -82.62 -17.62 44.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 63.43 110.861 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 62.0 t -104.92 -24.24 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 70.23 111.158 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.634 HG22 ' O ' ' A' ' 8' ' ' ILE . 20.8 tt -51.72 -29.82 10.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 73.04 111.135 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -75.15 -48.37 23.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 64.4 110.863 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 49.4 m -57.02 -35.72 69.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 34.43 110.839 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.03 -58.89 3.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.098 -0.501 . . . . 54.55 110.892 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 56.2 mt -59.77 -25.34 31.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 51.1 111.11 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 53.8 tt0 -57.71 -69.86 0.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 43.52 110.897 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -53.98 -29.01 41.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 74.15 110.866 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -65.86 -65.94 0.61 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 71.13 110.861 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 31.2 p -58.75 -28.37 65.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 72.21 111.178 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 109.24 -47.05 1.08 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.777 -0.725 . . . . 74.32 112.533 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.3 mtpp . . . . . 0 C--N 1.328 -0.354 0 CA-C-O 120.828 0.347 . . . . 73.24 110.91 -179.999 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 150.51 -24.57 1.07 Allowed Glycine 0 N--CA 1.452 -0.291 0 CA-C-N 115.151 -0.931 . . . . 64.14 112.47 178.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.4 mp -104.04 -47.5 10.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.81 0.338 . . . . 51.3 111.136 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.598 ' O ' HG22 ' A' ' 7' ' ' ILE . 5.3 mp -75.06 -25.07 18.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 64.23 111.142 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -84.31 -25.03 29.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 44.42 111.08 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -98.51 -19.37 23.08 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.746 -0.74 . . . . 75.33 112.466 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.598 HG22 ' O ' ' A' ' 4' ' ' ILE . 9.6 tp -54.09 -32.73 23.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.802 0.334 . . . . 74.4 111.157 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.628 ' O ' HG22 ' A' ' 11' ' ' ILE . 2.1 pp -75.13 -26.62 19.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 72.42 111.116 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.8 ttpt -82.66 -17.61 43.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 72.21 110.83 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 57.9 t -104.96 -24.27 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 55.24 111.12 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.628 HG22 ' O ' ' A' ' 8' ' ' ILE . 8.0 tt -51.72 -29.84 10.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 63.41 111.169 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.3 mttt -75.32 -59.32 2.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 71.34 110.886 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 74.7 m -56.97 -29.74 63.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 65.24 110.827 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 57.7 tp -70.47 -59.5 2.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 72.23 110.877 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 61.0 mt -59.62 -26.69 35.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 72.15 111.128 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 -55.25 -71.27 0.09 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 74.2 110.918 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.26 -30.21 26.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 73.24 110.911 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -65.1 -54.62 27.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 74.21 110.861 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 31.0 p -74.84 172.78 11.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 73.34 111.164 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -152.25 64.99 0.36 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.711 -0.757 . . . . 72.13 112.459 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp . . . . . 0 C--N 1.328 -0.334 0 CA-C-O 120.767 0.318 . . . . 73.11 110.891 179.982 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 130.14 -19.7 5.13 Favored Glycine 0 N--CA 1.452 -0.298 0 CA-C-N 115.164 -0.926 . . . . 62.01 112.497 178.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 40.3 mm -97.49 -25.61 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.786 0.327 . . . . 60.3 111.122 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.648 ' O ' HG22 ' A' ' 7' ' ' ILE . 5.1 mp -98.63 -25.15 4.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 73.45 111.102 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.37 -25.06 34.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 41.24 111.072 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -97.28 -19.77 24.85 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.724 -0.751 . . . . 64.3 112.458 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.648 HG22 ' O ' ' A' ' 4' ' ' ILE . 10.7 tp -54.62 -30.79 22.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.762 0.315 . . . . 75.03 111.127 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.65 ' O ' HG22 ' A' ' 11' ' ' ILE . 29.7 pt -75.08 -26.73 19.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 73.4 111.081 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.2 ttpp -82.58 -17.63 44.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 73.44 110.868 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 48.7 t -104.91 -24.21 4.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 63.22 111.151 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.65 HG22 ' O ' ' A' ' 8' ' ' ILE . 17.5 tt -51.82 -29.77 11.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 62.25 111.118 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.2 tppt? -72.41 -48.22 43.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 51.01 110.923 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 59.5 m -70.24 -26.47 63.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 73.22 110.863 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 25.6 tp -68.28 -49.61 59.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.478 . . . . 73.12 110.894 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 54.9 mt -63.66 -25.42 38.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 75.11 111.144 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -70.06 -59.46 2.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 33.4 110.91 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -57.58 -41.5 81.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 75.44 110.91 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -54.03 -66.6 0.37 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 71.25 110.893 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 58.0 p -53.15 152.88 3.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 60.32 111.135 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -164.57 48.26 0.29 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.766 -0.73 . . . . 63.24 112.502 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 120.815 0.34 . . . . 74.13 110.88 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 141.96 -46.13 0.9 Allowed Glycine 0 N--CA 1.452 -0.298 0 CA-C-N 115.165 -0.925 . . . . 74.31 112.478 178.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.4 mp -95.51 -32.05 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.839 0.352 . . . . 72.1 111.15 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.597 ' O ' HG22 ' A' ' 7' ' ' ILE . 58.7 mt -73.02 -25.36 21.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 75.25 111.133 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.76 -25.23 30.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 74.04 111.107 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -98.37 -19.96 21.57 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.749 -0.738 . . . . 72.41 112.469 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.597 HG22 ' O ' ' A' ' 4' ' ' ILE . 9.2 tp -54.17 -32.5 23.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.774 0.321 . . . . 70.01 111.14 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.636 ' O ' HG22 ' A' ' 11' ' ' ILE . 29.6 pt -75.15 -26.65 19.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 62.31 111.113 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 50.1 mttt -82.67 -17.57 44.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 61.23 110.893 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 22.2 t -104.82 -24.55 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.274 -0.421 . . . . 73.31 111.152 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.636 HG22 ' O ' ' A' ' 8' ' ' ILE . 18.9 tt -51.71 -29.86 10.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 64.12 111.135 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.611 ' HD2' HG23 ' A' ' 11' ' ' ILE . 5.1 mptp? -72.14 -50.38 28.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 72.11 110.863 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 28.2 t -55.33 -32.67 62.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 72.33 110.842 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.2 -57.7 4.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 75.13 110.88 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 57.6 mt -60.91 -26.72 39.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 73.2 111.148 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -55.93 -69.92 0.13 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.471 . . . . 65.04 110.889 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -53.42 -28.74 31.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 71.34 110.868 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -65.96 -59.88 3.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 70.34 110.884 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.5 p -69.89 -179.24 1.78 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 62.45 111.108 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -163.23 -44.2 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.709 -0.758 . . . . 74.32 112.463 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.3 pttp . . . . . 0 C--N 1.329 -0.296 0 CA-C-O 120.756 0.313 . . . . 75.02 110.922 -179.983 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 141.26 -24.67 2.52 Favored Glycine 0 N--CA 1.451 -0.361 0 CA-C-N 115.219 -0.901 . . . . 63.33 112.486 178.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 33.9 mm -101.64 -25.35 3.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.839 0.352 . . . . 70.35 111.141 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.602 ' O ' HG22 ' A' ' 7' ' ' ILE . 58.6 mt -71.66 -25.23 24.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 51.01 111.123 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.3 -26.51 30.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 74.1 111.152 179.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -97.61 -19.48 24.88 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.748 -0.739 . . . . 44.1 112.504 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.602 HG22 ' O ' ' A' ' 4' ' ' ILE . 10.2 tp -54.56 -31.04 22.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.797 0.332 . . . . 65.3 111.071 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.649 ' O ' HG22 ' A' ' 11' ' ' ILE . 29.6 pt -75.05 -26.68 19.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 75.32 111.166 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.8 ttmm -82.62 -17.6 44.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 75.25 110.918 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 47.7 t -104.89 -24.3 4.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 65.23 111.124 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.649 HG22 ' O ' ' A' ' 8' ' ' ILE . 11.5 tt -51.72 -29.81 10.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 62.41 111.131 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 29.1 mmmt -72.18 -47.1 53.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 75.3 110.949 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.3 m -71.5 -26.47 62.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 75.42 110.901 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 23.3 tp -68.98 -48.84 62.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 74.54 110.864 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 53.4 mt -64.54 -25.21 37.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 72.43 111.101 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.23 -58.5 3.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 70.31 110.912 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -59.95 -39.9 87.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 70.43 110.891 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -54.41 -66.76 0.34 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 73.51 110.873 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 61.8 p -52.17 121.78 7.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 75.13 111.108 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -72.28 -37.38 59.28 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.754 -0.736 . . . . 62.03 112.46 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 40.7 mttm . . . . . 0 C--N 1.329 -0.323 0 CA-C-O 120.831 0.348 . . . . 64.04 110.853 -179.9 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 104.02 -19.75 42.76 Favored Glycine 0 N--CA 1.451 -0.334 0 CA-C-N 115.161 -0.927 . . . . 75.21 112.469 178.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 44.5 mm -101.36 -26.96 3.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.771 0.319 . . . . 73.45 111.148 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.649 ' O ' HG22 ' A' ' 7' ' ' ILE . 5.4 mp -88.83 -24.97 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 71.43 111.126 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.36 -24.98 34.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 64.34 111.078 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -97.0 -19.65 25.88 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.759 -0.734 . . . . 60.21 112.475 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.649 HG22 ' O ' ' A' ' 4' ' ' ILE . 10.6 tp -54.73 -30.55 22.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.765 0.317 . . . . 63.11 111.085 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.648 ' O ' HG22 ' A' ' 11' ' ' ILE . 29.5 pt -75.04 -26.72 19.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 63.2 111.17 179.798 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 27.3 ttpt -82.62 -17.59 44.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 70.41 110.914 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 62.5 t -104.89 -24.22 4.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 72.43 111.139 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.648 HG22 ' O ' ' A' ' 8' ' ' ILE . 12.3 tt -51.88 -29.72 11.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 74.34 111.112 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.19 -46.94 54.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 54.33 110.902 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 44.2 t -71.64 -26.62 62.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 55.1 110.876 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 23.2 tp -68.83 -48.61 63.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 73.21 110.924 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 54.8 mt -65.11 -25.26 37.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 75.24 111.186 179.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -66.61 -60.6 2.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 72.23 110.867 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -60.02 -40.05 87.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 72.05 110.956 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -54.49 -64.82 0.71 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.453 . . . . 72.05 110.866 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 79.2 p -52.58 160.37 0.88 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.478 . . . . 72.2 111.156 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -74.62 -31.35 58.72 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.772 -0.728 . . . . 33.13 112.489 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 18.1 pttp . . . . . 0 C--N 1.328 -0.336 0 CA-C-O 120.822 0.344 . . . . 64.23 110.906 179.996 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 147.75 -19.73 1.46 Allowed Glycine 0 N--CA 1.452 -0.294 0 CA-C-N 115.203 -0.908 . . . . 70.55 112.51 178.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 35.2 mm -98.71 -35.26 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.836 0.35 . . . . 75.12 111.136 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.61 ' O ' HG22 ' A' ' 7' ' ' ILE . 5.4 mp -75.98 -25.21 16.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 75.52 111.137 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.24 -25.11 31.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 60.21 111.094 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -98.55 -19.79 21.68 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.739 -0.743 . . . . 70.34 112.474 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.61 HG22 ' O ' ' A' ' 4' ' ' ILE . 9.9 tp -54.1 -32.28 22.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.809 0.338 . . . . 64.34 111.154 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.652 ' O ' HG22 ' A' ' 11' ' ' ILE . 29.6 pt -75.37 -26.67 18.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 71.14 111.123 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 69.5 mttt -82.59 -17.62 44.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 71.32 110.912 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 57.9 t -104.89 -24.22 4.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 73.54 111.082 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.652 HG22 ' O ' ' A' ' 8' ' ' ILE . 15.7 tt -51.86 -29.63 11.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 73.22 111.149 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.42 ' HD2' HG23 ' A' ' 11' ' ' ILE . 9.6 mptt -72.25 -47.09 52.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 74.1 110.902 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 67.0 m -71.49 -26.56 62.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 60.23 110.857 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 23.8 tp -68.1 -48.3 65.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 72.52 110.915 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 55.0 mt -64.59 -25.52 38.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 63.11 111.116 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -69.53 -58.88 3.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 53.2 110.888 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -58.23 -41.63 84.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 72.44 110.967 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -54.07 -66.85 0.32 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 75.14 110.911 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 70.8 p -52.2 120.87 5.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 73.45 111.155 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -53.45 -26.55 30.78 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.813 -0.708 . . . . 64.43 112.442 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 42.8 mtpt . . . . . 0 C--N 1.328 -0.35 0 CA-C-O 120.758 0.313 . . . . 73.51 110.882 -179.946 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 129.82 -33.47 2.95 Favored Glycine 0 N--CA 1.451 -0.312 0 CA-C-N 115.191 -0.913 . . . . 65.12 112.46 178.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 49.8 mm -117.17 -46.31 3.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.791 0.329 . . . . 72.34 111.143 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.637 ' O ' HG22 ' A' ' 7' ' ' ILE . 5.0 mp -80.45 -25.23 11.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 74.34 111.117 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.8 -25.06 33.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 73.53 111.098 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -97.47 -19.74 24.48 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.735 -0.745 . . . . 70.12 112.501 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.637 HG22 ' O ' ' A' ' 4' ' ' ILE . 10.7 tp -54.59 -31.12 23.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.803 0.335 . . . . 74.5 111.11 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.65 ' O ' HG22 ' A' ' 11' ' ' ILE . 29.6 pt -75.06 -26.76 19.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 70.41 111.148 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 31.9 mttm -82.5 -17.63 44.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 72.14 110.929 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.788 HG12 HD23 ' A' ' 14' ' ' LEU . 71.5 t -105.0 -23.87 4.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 75.3 111.118 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.65 HG22 ' O ' ' A' ' 8' ' ' ILE . 5.7 tt -52.14 -29.4 11.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 74.13 111.126 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.486 ' HD2' HG23 ' A' ' 11' ' ' ILE . 2.7 mptp? -71.48 -46.62 59.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 72.21 110.896 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 75.4 m -63.83 -26.85 68.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 54.33 110.879 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.788 HD23 HG12 ' A' ' 10' ' ' VAL . 3.5 mm? -76.01 -57.74 3.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 74.21 110.912 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 55.3 mt -54.42 -29.67 20.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 73.03 111.116 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.5 tm-20 -63.36 -68.77 0.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 73.34 110.887 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -52.3 -40.98 62.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 74.05 110.898 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -52.71 -66.98 0.29 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 74.4 110.901 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 74.1 p -52.4 147.28 8.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.129 -0.487 . . . . 73.24 111.113 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -92.88 41.44 2.72 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.783 -0.722 . . . . 60.43 112.503 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 28.5 mtmt . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 120.77 0.319 . . . . 75.44 110.879 -179.939 . . . . . . . . 0 0 . 1 stop_ save_