data_2p5h_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 2p5h _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 ' 1' ' ' VAL . . . . . . . . . . . . . 14.5 p . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.833 0.349 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -105.12 106.83 17.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 8.1 pt -108.33 30.6 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.124 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -140.37 121.37 14.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.4 m -66.07 -172.53 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.092 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 2.8 m-90 -77.7 110.26 12.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -55.32 127.2 28.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.854 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.493 -179.96 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 27.5 m . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.769 0.319 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -119.51 41.5 3.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.852 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 14.6 pt -99.01 33.56 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.118 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 7.5 t-80 -170.7 138.27 1.4 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 27.7 m -123.62 178.17 3.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.119 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 5.4 t-105 -141.07 112.84 7.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 27.6 t70 63.3 25.93 14.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.534 -179.898 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 31.2 m . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.821 0.343 . . . . 0.0 111.111 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -113.14 167.26 10.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.847 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 6.6 pt -101.05 41.01 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.133 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 10.1 t-80 -53.16 129.04 29.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.5 m -106.36 -175.07 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.155 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 2.9 m-90 -66.64 144.66 56.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -54.08 -34.15 59.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.893 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.44 -179.979 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 33.8 m . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.881 0.372 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -123.37 114.94 20.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.1 pp -95.48 25.72 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 20.9 t-80 -147.22 149.02 32.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 35.0 m -129.75 150.92 35.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.109 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 1.3 m-90 -76.85 147.97 36.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.932 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 81.6 m-20 -63.98 116.58 5.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.909 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.49 -179.914 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 17.1 m . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.803 0.335 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -141.0 154.14 45.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.882 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 10.3 pt -111.03 45.19 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.156 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -131.99 128.23 37.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.844 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 16.4 m -65.95 119.37 10.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.12 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 3.0 m-90 -62.11 128.23 35.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.951 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -52.04 111.65 0.65 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.87 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.499 -179.923 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 13.9 p . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.854 0.359 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -119.76 36.84 4.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.1 pt -53.73 108.92 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.132 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 29.1 t-80 -106.27 131.95 52.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.4 m -66.15 -172.5 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.131 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 2.2 m-90 -77.93 138.79 39.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -59.09 122.77 14.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.845 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.507 -179.935 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 14.4 p . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.834 0.349 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -133.53 84.03 2.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 49.3 pt -98.44 30.73 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.086 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -55.92 134.89 52.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.3 m -66.07 -172.51 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.128 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 3.0 t-105 -81.9 147.22 29.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.934 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -52.09 -32.8 36.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.893 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.508 -179.891 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 23.0 t . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.852 0.358 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -100.88 71.4 1.44 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.854 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 35.4 pt -96.32 36.9 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 10.9 t-80 -172.61 125.53 0.49 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.827 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.3 m -66.07 -172.51 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.124 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 3.3 m-90 -73.35 146.06 45.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -52.55 -32.27 40.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.861 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.489 -179.918 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 19.9 m . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.829 0.347 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -123.79 138.11 54.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.853 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 6.8 pt -131.63 68.92 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.102 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 17.8 t-80 -64.65 121.92 15.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.4 m -66.13 -172.54 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.112 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 2.4 m-90 -76.87 140.07 40.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.96 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -104.27 30.38 5.32 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.901 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.468 -179.882 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 10.7 p . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.832 0.349 . . . . 0.0 111.1 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -105.94 59.53 0.66 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.879 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 11.8 pt -100.54 27.77 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -108.02 129.46 55.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.2 m -66.04 -172.58 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.131 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 2.8 m-90 -80.25 139.75 36.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.921 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -55.33 105.77 0.19 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.859 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.392 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.49 -179.954 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 59.1 t . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.852 0.358 . . . . 0.0 111.113 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -56.48 106.31 0.28 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 38.1 pt -97.05 32.28 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.126 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 11.0 t-80 -114.48 153.55 29.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.3 m -66.09 -172.54 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.131 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 3.8 t-105 -80.04 118.15 21.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -63.44 127.56 31.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.872 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.475 -179.948 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 17.3 m . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.812 0.339 . . . . 0.0 111.108 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -100.79 65.59 1.14 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 23.5 pt -121.97 30.89 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.076 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -158.49 121.12 3.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.2 m -66.0 -172.56 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.182 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 2.9 t-105 -82.01 147.14 29.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.937 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.36 -32.85 40.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.865 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.505 -179.926 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 44.4 t . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.843 0.354 . . . . 0.0 111.109 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 79.1 m-20 -100.48 131.09 46.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.849 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 16.8 pt -127.07 32.68 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.115 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 16.7 t-80 -57.29 155.73 8.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.834 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.2 m -66.1 -172.51 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.159 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 2.1 m-90 -77.96 136.85 38.05 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -63.79 132.94 52.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.87 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.506 -179.902 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 15.0 p . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.822 0.344 . . . . 0.0 111.14 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -109.35 134.58 51.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 43.9 pt -118.9 25.44 4.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 42.0 t-80 -169.33 132.67 1.29 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.3 m -66.05 -172.55 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.098 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 3.1 m-90 -74.94 147.08 41.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.881 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -108.48 47.93 0.88 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.481 -179.908 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 58.2 t . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.83 0.347 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -134.81 102.48 5.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.831 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.1 pp -97.62 25.74 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.144 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -111.29 128.58 55.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.853 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.3 m -66.11 -172.49 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.134 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 3.7 m-90 -74.5 142.81 44.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -106.74 29.15 7.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.498 -179.921 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 34.7 m . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.802 0.334 . . . . 0.0 111.123 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 42.0 t0 -123.92 78.56 1.64 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.2 pt -53.97 106.03 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.157 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 12.4 t-80 -106.24 146.38 30.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.836 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.4 m -66.05 -172.55 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.13 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 2.1 t-105 -81.85 144.72 30.82 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -52.79 -32.3 43.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.466 -179.951 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 47.4 t . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.842 0.353 . . . . 0.0 111.158 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -153.51 169.01 24.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 16.2 pt -132.54 35.36 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.16 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 44.8 t-80 -171.57 131.24 0.71 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.848 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 16.9 m -66.14 -172.45 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.114 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 5.4 t-105 -134.45 107.99 7.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -156.23 24.99 0.36 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.851 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.48 -179.954 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 43.8 t . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.843 0.354 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -148.23 140.42 24.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.822 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 7.4 pt -131.0 29.58 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.083 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -146.11 126.11 13.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.869 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.3 m -66.04 -172.56 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.124 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 2.7 m-90 -79.57 113.12 17.47 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.893 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -62.71 123.46 18.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.481 -179.924 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 7.2 p . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.816 0.341 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 39.1 m-20 -58.54 126.97 29.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 7.7 pt -109.66 38.82 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.102 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 6.3 t-80 -63.34 125.18 23.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.3 m -66.07 -172.53 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.112 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 3.6 m-90 -75.38 145.68 41.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.06 -33.37 51.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.491 -179.943 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 34.9 t . . . . . 0 N--CA 1.457 -0.082 0 CA-C-O 120.818 0.342 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -117.69 127.56 54.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.871 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 20.7 pt -115.49 32.83 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.125 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 56.2 t-80 -154.77 146.45 23.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.3 m -66.04 -172.61 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.114 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 2.9 m-90 -76.2 132.11 39.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.932 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -104.19 37.61 2.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.854 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.506 -179.919 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 14.5 p . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.833 0.349 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -105.12 106.83 17.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 8.1 pt -108.33 30.6 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.124 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -140.37 121.37 14.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.4 m -66.07 -172.53 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.092 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 2.8 m-90 -77.7 110.26 12.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -55.32 127.2 28.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.854 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 80.71 20.32 66.19 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.493 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 65.6 t . . . . . 0 C--N 1.328 -0.33 0 CA-C-O 120.834 0.35 . . . . 0.0 111.132 -179.985 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 27.5 m . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.769 0.319 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -119.51 41.5 3.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.852 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 14.6 pt -99.01 33.56 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.118 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 7.5 t-80 -170.7 138.27 1.4 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 27.7 m -123.62 178.17 3.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.119 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 5.4 t-105 -141.07 112.84 7.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 27.6 t70 63.3 25.93 14.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 80.91 19.6 67.25 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.534 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 94.7 t . . . . . 0 C--N 1.33 -0.282 0 CA-C-O 120.853 0.359 . . . . 0.0 111.135 -179.96 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 31.2 m . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.821 0.343 . . . . 0.0 111.111 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -113.14 167.26 10.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.847 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 6.6 pt -101.05 41.01 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.133 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 10.1 t-80 -53.16 129.04 29.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.5 m -106.36 -175.07 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.155 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 2.9 m-90 -66.64 144.66 56.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -54.08 -34.15 59.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.893 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 100.92 -16.07 57.67 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.44 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 48.8 t . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 120.839 0.352 . . . . 0.0 111.143 -179.983 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 33.8 m . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.881 0.372 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -123.37 114.94 20.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.1 pp -95.48 25.72 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 20.9 t-80 -147.22 149.02 32.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 35.0 m -129.75 150.92 35.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.109 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 1.3 m-90 -76.85 147.97 36.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.932 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 81.6 m-20 -63.98 116.58 5.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.909 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 111.04 -16.07 27.95 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.49 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 6.2 m . . . . . 0 C--N 1.329 -0.291 0 CA-C-O 120.821 0.343 . . . . 0.0 111.14 -179.991 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 17.1 m . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.803 0.335 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -141.0 154.14 45.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.882 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 10.3 pt -111.03 45.19 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.156 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -131.99 128.23 37.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.844 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 16.4 m -65.95 119.37 10.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.12 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 3.0 m-90 -62.11 128.23 35.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.951 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -52.04 111.65 0.65 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.87 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 110.86 22.87 6.1 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.499 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 27.9 m . . . . . 0 C--N 1.33 -0.275 0 CA-C-O 120.85 0.357 . . . . 0.0 111.099 -179.946 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 13.9 p . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.854 0.359 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -119.76 36.84 4.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.1 pt -53.73 108.92 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.132 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 29.1 t-80 -106.27 131.95 52.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.4 m -66.15 -172.5 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.131 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 2.2 m-90 -77.93 138.79 39.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -59.09 122.77 14.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.845 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 108.05 21.74 7.59 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.507 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 66.5 t . . . . . 0 C--N 1.329 -0.308 0 CA-C-O 120.842 0.353 . . . . 0.0 111.143 -179.967 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 14.4 p . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.834 0.349 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -133.53 84.03 2.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 49.3 pt -98.44 30.73 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.086 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -55.92 134.89 52.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.3 m -66.07 -172.51 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.128 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 3.0 t-105 -81.9 147.22 29.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.934 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -52.09 -32.8 36.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.893 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 95.84 20.06 27.38 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.508 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.1 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 120.843 0.354 . . . . 0.0 111.141 -179.994 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 23.0 t . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.852 0.358 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -100.88 71.4 1.44 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.854 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 35.4 pt -96.32 36.9 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 10.9 t-80 -172.61 125.53 0.49 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.827 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.3 m -66.07 -172.51 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.124 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 3.3 m-90 -73.35 146.06 45.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -52.55 -32.27 40.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.861 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 94.66 21.2 26.98 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.489 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 30.6 m . . . . . 0 C--N 1.329 -0.283 0 CA-C-O 120.84 0.353 . . . . 0.0 111.113 -179.998 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 19.9 m . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.829 0.347 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -123.79 138.11 54.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.853 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 6.8 pt -131.63 68.92 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.102 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 17.8 t-80 -64.65 121.92 15.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.4 m -66.13 -172.54 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.112 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 2.4 m-90 -76.87 140.07 40.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.96 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -104.27 30.38 5.32 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.901 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 80.22 22.63 62.61 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.468 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 61.6 t . . . . . 0 C--N 1.329 -0.306 0 CA-C-O 120.859 0.362 . . . . 0.0 111.135 -179.995 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 10.7 p . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.832 0.349 . . . . 0.0 111.1 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -105.94 59.53 0.66 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.879 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 11.8 pt -100.54 27.77 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -108.02 129.46 55.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.2 m -66.04 -172.58 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.131 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 2.8 m-90 -80.25 139.75 36.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.921 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -55.33 105.77 0.19 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.859 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 92.55 22.2 29.61 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.49 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 57.3 t . . . . . 0 C--N 1.328 -0.327 0 CA-C-O 120.884 0.373 . . . . 0.0 111.122 -179.994 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 59.1 t . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.852 0.358 . . . . 0.0 111.113 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -56.48 106.31 0.28 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 38.1 pt -97.05 32.28 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.126 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 11.0 t-80 -114.48 153.55 29.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.3 m -66.09 -172.54 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.131 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 3.8 t-105 -80.04 118.15 21.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -63.44 127.56 31.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.872 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 106.89 22.57 7.54 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.475 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 32.4 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 120.806 0.336 . . . . 0.0 111.138 -179.952 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 17.3 m . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.812 0.339 . . . . 0.0 111.108 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -100.79 65.59 1.14 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 23.5 pt -121.97 30.89 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.076 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -158.49 121.12 3.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.2 m -66.0 -172.56 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.182 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 2.9 t-105 -82.01 147.14 29.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.937 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.36 -32.85 40.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.865 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 106.86 23.85 6.91 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.505 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 60.5 t . . . . . 0 C--N 1.33 -0.267 0 CA-C-O 120.843 0.354 . . . . 0.0 111.131 -179.965 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 44.4 t . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.843 0.354 . . . . 0.0 111.109 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 79.1 m-20 -100.48 131.09 46.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.849 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 16.8 pt -127.07 32.68 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.115 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 16.7 t-80 -57.29 155.73 8.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.834 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.2 m -66.1 -172.51 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.159 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 2.1 m-90 -77.96 136.85 38.05 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -63.79 132.94 52.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.87 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 110.02 23.52 6.1 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.506 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 28.9 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 120.846 0.355 . . . . 0.0 111.116 -179.947 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 15.0 p . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.822 0.344 . . . . 0.0 111.14 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -109.35 134.58 51.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 43.9 pt -118.9 25.44 4.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 42.0 t-80 -169.33 132.67 1.29 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.3 m -66.05 -172.55 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.098 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 3.1 m-90 -74.94 147.08 41.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.881 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -108.48 47.93 0.88 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 78.9 23.08 64.78 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.481 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 23.5 t . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 120.824 0.345 . . . . 0.0 111.138 -179.958 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 58.2 t . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.83 0.347 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -134.81 102.48 5.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.831 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.1 pp -97.62 25.74 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.144 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -111.29 128.58 55.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.853 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.3 m -66.11 -172.49 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.134 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 3.7 m-90 -74.5 142.81 44.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -106.74 29.15 7.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 89.82 20.21 44.48 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.498 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.3 m . . . . . 0 C--N 1.329 -0.283 0 CA-C-O 120.836 0.35 . . . . 0.0 111.118 -179.967 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 34.7 m . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.802 0.334 . . . . 0.0 111.123 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 42.0 t0 -123.92 78.56 1.64 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.2 pt -53.97 106.03 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.157 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 12.4 t-80 -106.24 146.38 30.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.836 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.4 m -66.05 -172.55 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.13 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 2.1 t-105 -81.85 144.72 30.82 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -52.79 -32.3 43.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 102.54 23.61 8.77 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.466 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 22.1 t . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 120.804 0.335 . . . . 0.0 111.17 179.979 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 47.4 t . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.842 0.353 . . . . 0.0 111.158 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -153.51 169.01 24.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 16.2 pt -132.54 35.36 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.16 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 44.8 t-80 -171.57 131.24 0.71 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.848 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 16.9 m -66.14 -172.45 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.114 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 5.4 t-105 -134.45 107.99 7.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -156.23 24.99 0.36 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.851 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 88.51 21.56 43.71 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.48 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 56.7 t . . . . . 0 C--N 1.329 -0.308 0 CA-C-O 120.804 0.335 . . . . 0.0 111.144 -179.966 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 43.8 t . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.843 0.354 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -148.23 140.42 24.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.822 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 7.4 pt -131.0 29.58 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.083 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -146.11 126.11 13.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.869 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.3 m -66.04 -172.56 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.124 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 2.7 m-90 -79.57 113.12 17.47 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.893 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -62.71 123.46 18.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 110.0 -16.05 30.65 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.481 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.1 t . . . . . 0 C--N 1.329 -0.299 0 CA-C-O 120.835 0.35 . . . . 0.0 111.125 -179.969 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 7.2 p . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.816 0.341 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 39.1 m-20 -58.54 126.97 29.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 7.7 pt -109.66 38.82 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.102 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 6.3 t-80 -63.34 125.18 23.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.3 m -66.07 -172.53 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.112 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 3.6 m-90 -75.38 145.68 41.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.06 -33.37 51.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 94.75 -16.06 62.03 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.491 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 18.4 m . . . . . 0 C--N 1.329 -0.292 0 CA-C-O 120.868 0.366 . . . . 0.0 111.12 -179.959 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 34.9 t . . . . . 0 N--CA 1.457 -0.082 0 CA-C-O 120.818 0.342 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -117.69 127.56 54.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.871 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 20.7 pt -115.49 32.83 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.125 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 56.2 t-80 -154.77 146.45 23.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.3 m -66.04 -172.61 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.114 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 2.9 m-90 -76.2 132.11 39.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.932 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -104.19 37.61 2.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.854 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 92.3 -15.97 60.91 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.506 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 6.6 m . . . . . 0 C--N 1.33 -0.267 0 CA-C-O 120.854 0.359 . . . . 0.0 111.106 -179.969 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 14.5 p . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.833 0.349 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -105.12 106.83 17.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 8.1 pt -108.33 30.6 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.124 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -140.37 121.37 14.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.4 m -66.07 -172.53 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.092 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 2.8 m-90 -77.7 110.26 12.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -55.32 127.2 28.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.854 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.493 -179.96 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 27.5 m . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.769 0.319 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -119.51 41.5 3.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.852 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 14.6 pt -99.01 33.56 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.118 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 7.5 t-80 -170.7 138.27 1.4 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 27.7 m -123.62 178.17 3.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.119 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 5.4 t-105 -141.07 112.84 7.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 27.6 t70 63.3 25.93 14.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.534 -179.898 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 31.2 m . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.821 0.343 . . . . 0.0 111.111 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -113.14 167.26 10.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.847 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 6.6 pt -101.05 41.01 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.133 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 10.1 t-80 -53.16 129.04 29.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.5 m -106.36 -175.07 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.155 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 2.9 m-90 -66.64 144.66 56.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -54.08 -34.15 59.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.893 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.44 -179.979 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 33.8 m . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.881 0.372 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -123.37 114.94 20.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.52 ' O ' HD12 ' A' ' 3' ' ' ILE . 2.1 pp -95.48 25.72 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 20.9 t-80 -147.22 149.02 32.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 35.0 m -129.75 150.92 35.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.109 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 1.3 m-90 -76.85 147.97 36.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.932 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 81.6 m-20 -63.98 116.58 5.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.909 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.49 -179.914 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 17.1 m . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.803 0.335 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -141.0 154.14 45.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.882 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 10.3 pt -111.03 45.19 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.156 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -131.99 128.23 37.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.844 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.419 ' O ' HG23 ' A' ' 5' ' ' VAL . 16.4 m -65.95 119.37 10.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.12 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 3.0 m-90 -62.11 128.23 35.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.951 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -52.04 111.65 0.65 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.87 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.499 -179.923 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 13.9 p . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.854 0.359 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -119.76 36.84 4.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.1 pt -53.73 108.92 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.132 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 29.1 t-80 -106.27 131.95 52.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.4 m -66.15 -172.5 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.131 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 2.2 m-90 -77.93 138.79 39.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -59.09 122.77 14.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.845 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.507 -179.935 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 14.4 p . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.834 0.349 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -133.53 84.03 2.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 49.3 pt -98.44 30.73 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.086 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -55.92 134.89 52.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.3 m -66.07 -172.51 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.128 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 3.0 t-105 -81.9 147.22 29.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.934 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -52.09 -32.8 36.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.893 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.508 -179.891 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 23.0 t . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.852 0.358 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -100.88 71.4 1.44 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.854 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 35.4 pt -96.32 36.9 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 10.9 t-80 -172.61 125.53 0.49 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.827 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.3 m -66.07 -172.51 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.124 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 3.3 m-90 -73.35 146.06 45.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -52.55 -32.27 40.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.861 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.489 -179.918 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 19.9 m . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.829 0.347 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -123.79 138.11 54.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.853 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 6.8 pt -131.63 68.92 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.102 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 17.8 t-80 -64.65 121.92 15.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.4 m -66.13 -172.54 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.112 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 2.4 m-90 -76.87 140.07 40.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.96 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -104.27 30.38 5.32 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.901 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.468 -179.882 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 10.7 p . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.832 0.349 . . . . 0.0 111.1 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -105.94 59.53 0.66 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.879 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 11.8 pt -100.54 27.77 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -108.02 129.46 55.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.2 m -66.04 -172.58 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.131 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 2.8 m-90 -80.25 139.75 36.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.921 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -55.33 105.77 0.19 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.859 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.392 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.49 -179.954 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 59.1 t . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.852 0.358 . . . . 0.0 111.113 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -56.48 106.31 0.28 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 38.1 pt -97.05 32.28 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.126 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 11.0 t-80 -114.48 153.55 29.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.3 m -66.09 -172.54 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.131 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 3.8 t-105 -80.04 118.15 21.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -63.44 127.56 31.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.872 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.475 -179.948 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 17.3 m . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.812 0.339 . . . . 0.0 111.108 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -100.79 65.59 1.14 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 23.5 pt -121.97 30.89 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.076 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -158.49 121.12 3.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.2 m -66.0 -172.56 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.182 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 2.9 t-105 -82.01 147.14 29.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.937 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.36 -32.85 40.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.865 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.505 -179.926 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 44.4 t . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.843 0.354 . . . . 0.0 111.109 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 79.1 m-20 -100.48 131.09 46.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.849 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 16.8 pt -127.07 32.68 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.115 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 16.7 t-80 -57.29 155.73 8.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.834 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.2 m -66.1 -172.51 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.159 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 2.1 m-90 -77.96 136.85 38.05 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -63.79 132.94 52.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.87 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.506 -179.902 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 15.0 p . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.822 0.344 . . . . 0.0 111.14 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -109.35 134.58 51.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 43.9 pt -118.9 25.44 4.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 42.0 t-80 -169.33 132.67 1.29 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.3 m -66.05 -172.55 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.098 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 3.1 m-90 -74.94 147.08 41.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.881 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -108.48 47.93 0.88 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.481 -179.908 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 58.2 t . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.83 0.347 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -134.81 102.48 5.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.831 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.522 ' O ' HD12 ' A' ' 3' ' ' ILE . 2.1 pp -97.62 25.74 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.144 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -111.29 128.58 55.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.853 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.3 m -66.11 -172.49 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.134 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 3.7 m-90 -74.5 142.81 44.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -106.74 29.15 7.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.498 -179.921 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 34.7 m . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.802 0.334 . . . . 0.0 111.123 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 42.0 t0 -123.92 78.56 1.64 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.2 pt -53.97 106.03 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.157 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 12.4 t-80 -106.24 146.38 30.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.836 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.4 m -66.05 -172.55 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.13 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 2.1 t-105 -81.85 144.72 30.82 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -52.79 -32.3 43.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.466 -179.951 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 47.4 t . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.842 0.353 . . . . 0.0 111.158 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -153.51 169.01 24.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 16.2 pt -132.54 35.36 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.16 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 44.8 t-80 -171.57 131.24 0.71 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.848 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 16.9 m -66.14 -172.45 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.114 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 5.4 t-105 -134.45 107.99 7.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -156.23 24.99 0.36 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.851 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.48 -179.954 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 43.8 t . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.843 0.354 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -148.23 140.42 24.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.822 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 7.4 pt -131.0 29.58 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.083 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -146.11 126.11 13.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.869 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.3 m -66.04 -172.56 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.124 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 2.7 m-90 -79.57 113.12 17.47 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.893 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -62.71 123.46 18.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.481 -179.924 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 7.2 p . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.816 0.341 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 39.1 m-20 -58.54 126.97 29.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 7.7 pt -109.66 38.82 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.102 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 6.3 t-80 -63.34 125.18 23.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.3 m -66.07 -172.53 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.112 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 3.6 m-90 -75.38 145.68 41.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.06 -33.37 51.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.491 -179.943 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 34.9 t . . . . . 0 N--CA 1.457 -0.082 0 CA-C-O 120.818 0.342 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -117.69 127.56 54.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.871 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 20.7 pt -115.49 32.83 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.125 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 56.2 t-80 -154.77 146.45 23.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.3 m -66.04 -172.61 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.114 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 2.9 m-90 -76.2 132.11 39.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.932 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -104.19 37.61 2.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.854 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.506 -179.919 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 14.5 p . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.833 0.349 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -105.12 106.83 17.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 8.1 pt -108.33 30.6 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.124 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -140.37 121.37 14.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.4 m -66.07 -172.53 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.092 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 2.8 m-90 -77.7 110.26 12.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -55.32 127.2 28.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.854 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 80.71 20.32 66.19 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.493 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 65.6 t . . . . . 0 C--N 1.328 -0.33 0 CA-C-O 120.834 0.35 . . . . 0.0 111.132 -179.985 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 27.5 m . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.769 0.319 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -119.51 41.5 3.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.852 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 14.6 pt -99.01 33.56 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.118 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 7.5 t-80 -170.7 138.27 1.4 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 27.7 m -123.62 178.17 3.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.119 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 5.4 t-105 -141.07 112.84 7.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 27.6 t70 63.3 25.93 14.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 80.91 19.6 67.25 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.534 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 94.7 t . . . . . 0 C--N 1.33 -0.282 0 CA-C-O 120.853 0.359 . . . . 0.0 111.135 -179.96 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 31.2 m . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.821 0.343 . . . . 0.0 111.111 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -113.14 167.26 10.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.847 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 6.6 pt -101.05 41.01 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.133 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 10.1 t-80 -53.16 129.04 29.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.5 m -106.36 -175.07 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.155 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 2.9 m-90 -66.64 144.66 56.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -54.08 -34.15 59.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.893 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 100.92 -16.07 57.67 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.44 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 48.8 t . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 120.839 0.352 . . . . 0.0 111.143 -179.983 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 33.8 m . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.881 0.372 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -123.37 114.94 20.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.52 ' O ' HD12 ' A' ' 3' ' ' ILE . 2.1 pp -95.48 25.72 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 20.9 t-80 -147.22 149.02 32.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 35.0 m -129.75 150.92 35.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.109 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 1.3 m-90 -76.85 147.97 36.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.932 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 81.6 m-20 -63.98 116.58 5.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.909 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 111.04 -16.07 27.95 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.49 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 6.2 m . . . . . 0 C--N 1.329 -0.291 0 CA-C-O 120.821 0.343 . . . . 0.0 111.14 -179.991 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 17.1 m . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.803 0.335 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -141.0 154.14 45.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.882 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 10.3 pt -111.03 45.19 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.156 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -131.99 128.23 37.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.844 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.419 ' O ' HG23 ' A' ' 5' ' ' VAL . 16.4 m -65.95 119.37 10.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.12 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.523 ' O ' HG22 ' A' ' 9' ' ' VAL . 3.0 m-90 -62.11 128.23 35.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.951 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -52.04 111.65 0.65 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.87 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 110.86 22.87 6.1 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.499 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.523 HG22 ' O ' ' A' ' 6' ' ' TRP . 27.9 m . . . . . 0 C--N 1.33 -0.275 0 CA-C-O 120.85 0.357 . . . . 0.0 111.099 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 13.9 p . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.854 0.359 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -119.76 36.84 4.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.1 pt -53.73 108.92 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.132 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 29.1 t-80 -106.27 131.95 52.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.4 m -66.15 -172.5 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.131 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 2.2 m-90 -77.93 138.79 39.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -59.09 122.77 14.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.845 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 108.05 21.74 7.59 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.507 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 66.5 t . . . . . 0 C--N 1.329 -0.308 0 CA-C-O 120.842 0.353 . . . . 0.0 111.143 -179.967 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 14.4 p . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.834 0.349 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -133.53 84.03 2.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 49.3 pt -98.44 30.73 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.086 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -55.92 134.89 52.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.3 m -66.07 -172.51 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.128 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 3.0 t-105 -81.9 147.22 29.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.934 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -52.09 -32.8 36.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.893 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 95.84 20.06 27.38 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.508 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.1 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 120.843 0.354 . . . . 0.0 111.141 -179.994 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 23.0 t . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.852 0.358 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -100.88 71.4 1.44 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.854 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 35.4 pt -96.32 36.9 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 10.9 t-80 -172.61 125.53 0.49 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.827 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.3 m -66.07 -172.51 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.124 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 3.3 m-90 -73.35 146.06 45.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -52.55 -32.27 40.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.861 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 94.66 21.2 26.98 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.489 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 30.6 m . . . . . 0 C--N 1.329 -0.283 0 CA-C-O 120.84 0.353 . . . . 0.0 111.113 -179.998 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 19.9 m . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.829 0.347 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -123.79 138.11 54.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.853 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 6.8 pt -131.63 68.92 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.102 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 17.8 t-80 -64.65 121.92 15.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.4 m -66.13 -172.54 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.112 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 2.4 m-90 -76.87 140.07 40.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.96 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -104.27 30.38 5.32 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.901 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 80.22 22.63 62.61 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.468 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 61.6 t . . . . . 0 C--N 1.329 -0.306 0 CA-C-O 120.859 0.362 . . . . 0.0 111.135 -179.995 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 10.7 p . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.832 0.349 . . . . 0.0 111.1 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -105.94 59.53 0.66 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.879 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 11.8 pt -100.54 27.77 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -108.02 129.46 55.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.2 m -66.04 -172.58 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.131 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 2.8 m-90 -80.25 139.75 36.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.921 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -55.33 105.77 0.19 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.859 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 92.55 22.2 29.61 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.49 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 57.3 t . . . . . 0 C--N 1.328 -0.327 0 CA-C-O 120.884 0.373 . . . . 0.0 111.122 -179.994 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 59.1 t . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.852 0.358 . . . . 0.0 111.113 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -56.48 106.31 0.28 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 38.1 pt -97.05 32.28 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.126 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 11.0 t-80 -114.48 153.55 29.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.3 m -66.09 -172.54 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.131 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.514 ' O ' HG13 ' A' ' 9' ' ' VAL . 3.8 t-105 -80.04 118.15 21.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -63.44 127.56 31.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.872 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 106.89 22.57 7.54 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.475 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.514 HG13 ' O ' ' A' ' 6' ' ' TRP . 32.4 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 120.806 0.336 . . . . 0.0 111.138 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 17.3 m . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.812 0.339 . . . . 0.0 111.108 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -100.79 65.59 1.14 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 23.5 pt -121.97 30.89 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.076 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -158.49 121.12 3.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.2 m -66.0 -172.56 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.182 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 2.9 t-105 -82.01 147.14 29.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.937 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.36 -32.85 40.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.865 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 106.86 23.85 6.91 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.505 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 60.5 t . . . . . 0 C--N 1.33 -0.267 0 CA-C-O 120.843 0.354 . . . . 0.0 111.131 -179.965 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 44.4 t . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.843 0.354 . . . . 0.0 111.109 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 79.1 m-20 -100.48 131.09 46.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.849 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 16.8 pt -127.07 32.68 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.115 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 16.7 t-80 -57.29 155.73 8.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.834 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.542 HG21 HG21 ' A' ' 9' ' ' VAL . 17.2 m -66.1 -172.51 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.159 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.403 ' O ' HG13 ' A' ' 9' ' ' VAL . 2.1 m-90 -77.96 136.85 38.05 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -63.79 132.94 52.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.87 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 110.02 23.52 6.1 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.506 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.542 HG21 HG21 ' A' ' 5' ' ' VAL . 28.9 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 120.846 0.355 . . . . 0.0 111.116 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 15.0 p . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.822 0.344 . . . . 0.0 111.14 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -109.35 134.58 51.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 43.9 pt -118.9 25.44 4.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 42.0 t-80 -169.33 132.67 1.29 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.3 m -66.05 -172.55 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.098 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 3.1 m-90 -74.94 147.08 41.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.881 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -108.48 47.93 0.88 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 78.9 23.08 64.78 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.481 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 23.5 t . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 120.824 0.345 . . . . 0.0 111.138 -179.958 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 58.2 t . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.83 0.347 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -134.81 102.48 5.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.831 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.522 ' O ' HD12 ' A' ' 3' ' ' ILE . 2.1 pp -97.62 25.74 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.144 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -111.29 128.58 55.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.853 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.3 m -66.11 -172.49 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.134 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 3.7 m-90 -74.5 142.81 44.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -106.74 29.15 7.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 89.82 20.21 44.48 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.498 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.3 m . . . . . 0 C--N 1.329 -0.283 0 CA-C-O 120.836 0.35 . . . . 0.0 111.118 -179.967 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 34.7 m . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.802 0.334 . . . . 0.0 111.123 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 42.0 t0 -123.92 78.56 1.64 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.2 pt -53.97 106.03 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.157 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 12.4 t-80 -106.24 146.38 30.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.836 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.4 m -66.05 -172.55 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.13 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 2.1 t-105 -81.85 144.72 30.82 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -52.79 -32.3 43.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 102.54 23.61 8.77 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.466 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 22.1 t . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 120.804 0.335 . . . . 0.0 111.17 179.979 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 47.4 t . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.842 0.353 . . . . 0.0 111.158 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -153.51 169.01 24.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 16.2 pt -132.54 35.36 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.16 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 44.8 t-80 -171.57 131.24 0.71 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.848 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 16.9 m -66.14 -172.45 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.114 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 5.4 t-105 -134.45 107.99 7.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -156.23 24.99 0.36 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.851 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 88.51 21.56 43.71 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.48 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 56.7 t . . . . . 0 C--N 1.329 -0.308 0 CA-C-O 120.804 0.335 . . . . 0.0 111.144 -179.966 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 43.8 t . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.843 0.354 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -148.23 140.42 24.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.822 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 7.4 pt -131.0 29.58 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.083 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -146.11 126.11 13.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.869 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.3 m -66.04 -172.56 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.124 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 2.7 m-90 -79.57 113.12 17.47 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.893 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -62.71 123.46 18.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 110.0 -16.05 30.65 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.481 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.1 t . . . . . 0 C--N 1.329 -0.299 0 CA-C-O 120.835 0.35 . . . . 0.0 111.125 -179.969 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 7.2 p . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.816 0.341 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 39.1 m-20 -58.54 126.97 29.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 7.7 pt -109.66 38.82 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.102 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 6.3 t-80 -63.34 125.18 23.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.3 m -66.07 -172.53 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.112 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 3.6 m-90 -75.38 145.68 41.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.06 -33.37 51.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 94.75 -16.06 62.03 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.491 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 18.4 m . . . . . 0 C--N 1.329 -0.292 0 CA-C-O 120.868 0.366 . . . . 0.0 111.12 -179.959 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 34.9 t . . . . . 0 N--CA 1.457 -0.082 0 CA-C-O 120.818 0.342 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -117.69 127.56 54.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.871 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 20.7 pt -115.49 32.83 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.125 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 56.2 t-80 -154.77 146.45 23.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.3 m -66.04 -172.61 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.114 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 2.9 m-90 -76.2 132.11 39.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.932 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -104.19 37.61 2.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.854 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 92.3 -15.97 60.91 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.506 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 6.6 m . . . . . 0 C--N 1.33 -0.267 0 CA-C-O 120.854 0.359 . . . . 0.0 111.106 -179.969 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 14.5 p . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.833 0.349 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -105.12 106.83 17.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 8.1 pt -108.33 30.6 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.124 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -140.37 121.37 14.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.4 m -66.07 -172.53 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.092 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 2.8 m-90 -77.7 110.26 12.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -55.32 127.2 28.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.854 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.493 -179.96 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 27.5 m . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.769 0.319 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -119.51 41.5 3.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.852 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 14.6 pt -99.01 33.56 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.118 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 7.5 t-80 -170.7 138.27 1.4 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 27.7 m -123.62 178.17 3.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.119 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 5.4 t-105 -141.07 112.84 7.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 27.6 t70 63.3 25.93 14.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.534 -179.898 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 31.2 m . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.821 0.343 . . . . 0.0 111.111 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -113.14 167.26 10.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.847 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 6.6 pt -101.05 41.01 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.133 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 10.1 t-80 -53.16 129.04 29.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.5 m -106.36 -175.07 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.155 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 2.9 m-90 -66.64 144.66 56.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -54.08 -34.15 59.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.893 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.44 -179.979 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 33.8 m . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.881 0.372 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -123.37 114.94 20.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.52 ' O ' HD12 ' A' ' 3' ' ' ILE . 2.1 pp -95.48 25.72 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 20.9 t-80 -147.22 149.02 32.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 35.0 m -129.75 150.92 35.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.109 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 1.3 m-90 -76.85 147.97 36.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.932 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 81.6 m-20 -63.98 116.58 5.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.909 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.49 -179.914 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 17.1 m . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.803 0.335 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -141.0 154.14 45.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.882 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 10.3 pt -111.03 45.19 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.156 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -131.99 128.23 37.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.844 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 5' ' ' VAL . 16.4 m -65.95 119.37 10.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.12 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 3.0 m-90 -62.11 128.23 35.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.951 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -52.04 111.65 0.65 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.87 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.499 -179.923 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 13.9 p . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.854 0.359 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -119.76 36.84 4.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.1 pt -53.73 108.92 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.132 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 29.1 t-80 -106.27 131.95 52.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.4 m -66.15 -172.5 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.131 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 2.2 m-90 -77.93 138.79 39.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -59.09 122.77 14.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.845 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.507 -179.935 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 14.4 p . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.834 0.349 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -133.53 84.03 2.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 49.3 pt -98.44 30.73 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.086 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -55.92 134.89 52.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.3 m -66.07 -172.51 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.128 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 3.0 t-105 -81.9 147.22 29.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.934 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -52.09 -32.8 36.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.893 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.508 -179.891 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 23.0 t . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.852 0.358 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -100.88 71.4 1.44 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.854 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 35.4 pt -96.32 36.9 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 10.9 t-80 -172.61 125.53 0.49 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.827 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.3 m -66.07 -172.51 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.124 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 3.3 m-90 -73.35 146.06 45.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -52.55 -32.27 40.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.861 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.489 -179.918 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 19.9 m . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.829 0.347 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -123.79 138.11 54.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.853 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 6.8 pt -131.63 68.92 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.102 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 17.8 t-80 -64.65 121.92 15.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.4 m -66.13 -172.54 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.112 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 2.4 m-90 -76.87 140.07 40.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.96 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -104.27 30.38 5.32 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.901 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.468 -179.882 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 10.7 p . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.832 0.349 . . . . 0.0 111.1 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -105.94 59.53 0.66 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.879 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 11.8 pt -100.54 27.77 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -108.02 129.46 55.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.2 m -66.04 -172.58 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.131 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 2.8 m-90 -80.25 139.75 36.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.921 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -55.33 105.77 0.19 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.859 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.392 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.49 -179.954 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 59.1 t . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.852 0.358 . . . . 0.0 111.113 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -56.48 106.31 0.28 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 38.1 pt -97.05 32.28 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.126 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 11.0 t-80 -114.48 153.55 29.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.3 m -66.09 -172.54 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.131 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 3.8 t-105 -80.04 118.15 21.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -63.44 127.56 31.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.872 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.475 -179.948 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 17.3 m . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.812 0.339 . . . . 0.0 111.108 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -100.79 65.59 1.14 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 23.5 pt -121.97 30.89 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.076 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -158.49 121.12 3.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.2 m -66.0 -172.56 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.182 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 2.9 t-105 -82.01 147.14 29.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.937 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.36 -32.85 40.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.865 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.505 -179.926 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 44.4 t . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.843 0.354 . . . . 0.0 111.109 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 79.1 m-20 -100.48 131.09 46.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.849 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 16.8 pt -127.07 32.68 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.115 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 16.7 t-80 -57.29 155.73 8.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.834 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.2 m -66.1 -172.51 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.159 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 2.1 m-90 -77.96 136.85 38.05 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -63.79 132.94 52.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.87 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.506 -179.902 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 15.0 p . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.822 0.344 . . . . 0.0 111.14 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -109.35 134.58 51.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 43.9 pt -118.9 25.44 4.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 42.0 t-80 -169.33 132.67 1.29 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.3 m -66.05 -172.55 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.098 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 3.1 m-90 -74.94 147.08 41.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.881 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -108.48 47.93 0.88 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.481 -179.908 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 58.2 t . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.83 0.347 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -134.81 102.48 5.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.831 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.522 ' O ' HD12 ' A' ' 3' ' ' ILE . 2.1 pp -97.62 25.74 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.144 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -111.29 128.58 55.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.853 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.3 m -66.11 -172.49 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.134 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 3.7 m-90 -74.5 142.81 44.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -106.74 29.15 7.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.498 -179.921 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 34.7 m . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.802 0.334 . . . . 0.0 111.123 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 42.0 t0 -123.92 78.56 1.64 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.2 pt -53.97 106.03 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.157 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 12.4 t-80 -106.24 146.38 30.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.836 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.4 m -66.05 -172.55 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.13 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 2.1 t-105 -81.85 144.72 30.82 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -52.79 -32.3 43.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.466 -179.951 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 47.4 t . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.842 0.353 . . . . 0.0 111.158 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -153.51 169.01 24.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 16.2 pt -132.54 35.36 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.16 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 44.8 t-80 -171.57 131.24 0.71 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.848 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 16.9 m -66.14 -172.45 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.114 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 5.4 t-105 -134.45 107.99 7.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -156.23 24.99 0.36 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.851 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.48 -179.954 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 43.8 t . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.843 0.354 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -148.23 140.42 24.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.822 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 7.4 pt -131.0 29.58 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.083 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -146.11 126.11 13.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.869 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.3 m -66.04 -172.56 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.124 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 2.7 m-90 -79.57 113.12 17.47 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.893 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -62.71 123.46 18.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.481 -179.924 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 7.2 p . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.816 0.341 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 39.1 m-20 -58.54 126.97 29.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 7.7 pt -109.66 38.82 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.102 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 6.3 t-80 -63.34 125.18 23.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.3 m -66.07 -172.53 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.112 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 3.6 m-90 -75.38 145.68 41.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.06 -33.37 51.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.491 -179.943 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 34.9 t . . . . . 0 N--CA 1.457 -0.082 0 CA-C-O 120.818 0.342 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -117.69 127.56 54.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.871 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 20.7 pt -115.49 32.83 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.125 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 56.2 t-80 -154.77 146.45 23.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.3 m -66.04 -172.61 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.114 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 2.9 m-90 -76.2 132.11 39.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.932 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -104.19 37.61 2.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.854 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.506 -179.919 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 14.5 p . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.833 0.349 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -105.12 106.83 17.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 8.1 pt -108.33 30.6 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.124 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -140.37 121.37 14.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.4 m -66.07 -172.53 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.092 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 2.8 m-90 -77.7 110.26 12.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -55.32 127.2 28.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.854 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 80.71 20.32 66.19 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.493 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 65.6 t . . . . . 0 C--N 1.328 -0.33 0 CA-C-O 120.834 0.35 . . . . 0.0 111.132 -179.985 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 27.5 m . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.769 0.319 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -119.51 41.5 3.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.852 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 14.6 pt -99.01 33.56 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.118 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 7.5 t-80 -170.7 138.27 1.4 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 27.7 m -123.62 178.17 3.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.119 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 5.4 t-105 -141.07 112.84 7.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 27.6 t70 63.3 25.93 14.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 80.91 19.6 67.25 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.534 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 94.7 t . . . . . 0 C--N 1.33 -0.282 0 CA-C-O 120.853 0.359 . . . . 0.0 111.135 -179.96 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 31.2 m . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.821 0.343 . . . . 0.0 111.111 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -113.14 167.26 10.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.847 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 6.6 pt -101.05 41.01 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.133 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 10.1 t-80 -53.16 129.04 29.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.5 m -106.36 -175.07 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.155 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 2.9 m-90 -66.64 144.66 56.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -54.08 -34.15 59.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.893 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 100.92 -16.07 57.67 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.44 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 48.8 t . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 120.839 0.352 . . . . 0.0 111.143 -179.983 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 33.8 m . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.881 0.372 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -123.37 114.94 20.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.52 ' O ' HD12 ' A' ' 3' ' ' ILE . 2.1 pp -95.48 25.72 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 20.9 t-80 -147.22 149.02 32.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 35.0 m -129.75 150.92 35.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.109 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 1.3 m-90 -76.85 147.97 36.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.932 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 81.6 m-20 -63.98 116.58 5.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.909 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 111.04 -16.07 27.95 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.49 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 6.2 m . . . . . 0 C--N 1.329 -0.291 0 CA-C-O 120.821 0.343 . . . . 0.0 111.14 -179.991 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 17.1 m . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.803 0.335 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -141.0 154.14 45.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.882 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 10.3 pt -111.03 45.19 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.156 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -131.99 128.23 37.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.844 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 5' ' ' VAL . 16.4 m -65.95 119.37 10.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.12 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.523 ' O ' HG22 ' A' ' 9' ' ' VAL . 3.0 m-90 -62.11 128.23 35.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.951 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -52.04 111.65 0.65 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.87 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 110.86 22.87 6.1 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.499 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.523 HG22 ' O ' ' A' ' 6' ' ' TRP . 27.9 m . . . . . 0 C--N 1.33 -0.275 0 CA-C-O 120.85 0.357 . . . . 0.0 111.099 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 13.9 p . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.854 0.359 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -119.76 36.84 4.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.1 pt -53.73 108.92 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.132 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 29.1 t-80 -106.27 131.95 52.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.4 m -66.15 -172.5 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.131 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 2.2 m-90 -77.93 138.79 39.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -59.09 122.77 14.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.845 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 108.05 21.74 7.59 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.507 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 66.5 t . . . . . 0 C--N 1.329 -0.308 0 CA-C-O 120.842 0.353 . . . . 0.0 111.143 -179.967 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 14.4 p . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.834 0.349 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -133.53 84.03 2.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 49.3 pt -98.44 30.73 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.086 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -55.92 134.89 52.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.3 m -66.07 -172.51 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.128 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 3.0 t-105 -81.9 147.22 29.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.934 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -52.09 -32.8 36.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.893 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 95.84 20.06 27.38 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.508 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.1 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 120.843 0.354 . . . . 0.0 111.141 -179.994 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 23.0 t . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.852 0.358 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -100.88 71.4 1.44 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.854 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 35.4 pt -96.32 36.9 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 10.9 t-80 -172.61 125.53 0.49 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.827 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.3 m -66.07 -172.51 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.124 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 3.3 m-90 -73.35 146.06 45.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -52.55 -32.27 40.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.861 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 94.66 21.2 26.98 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.489 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 30.6 m . . . . . 0 C--N 1.329 -0.283 0 CA-C-O 120.84 0.353 . . . . 0.0 111.113 -179.998 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 19.9 m . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.829 0.347 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -123.79 138.11 54.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.853 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 6.8 pt -131.63 68.92 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.102 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 17.8 t-80 -64.65 121.92 15.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.4 m -66.13 -172.54 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.112 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 2.4 m-90 -76.87 140.07 40.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.96 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -104.27 30.38 5.32 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.901 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 80.22 22.63 62.61 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.468 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 61.6 t . . . . . 0 C--N 1.329 -0.306 0 CA-C-O 120.859 0.362 . . . . 0.0 111.135 -179.995 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 10.7 p . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.832 0.349 . . . . 0.0 111.1 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -105.94 59.53 0.66 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.879 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 11.8 pt -100.54 27.77 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -108.02 129.46 55.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.2 m -66.04 -172.58 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.131 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 2.8 m-90 -80.25 139.75 36.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.921 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -55.33 105.77 0.19 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.859 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 92.55 22.2 29.61 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.49 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 57.3 t . . . . . 0 C--N 1.328 -0.327 0 CA-C-O 120.884 0.373 . . . . 0.0 111.122 -179.994 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 59.1 t . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.852 0.358 . . . . 0.0 111.113 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -56.48 106.31 0.28 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 38.1 pt -97.05 32.28 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.126 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 11.0 t-80 -114.48 153.55 29.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.3 m -66.09 -172.54 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.131 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.514 ' O ' HG13 ' A' ' 9' ' ' VAL . 3.8 t-105 -80.04 118.15 21.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -63.44 127.56 31.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.872 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 106.89 22.57 7.54 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.475 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.514 HG13 ' O ' ' A' ' 6' ' ' TRP . 32.4 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 120.806 0.336 . . . . 0.0 111.138 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 17.3 m . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.812 0.339 . . . . 0.0 111.108 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -100.79 65.59 1.14 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 23.5 pt -121.97 30.89 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.076 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -158.49 121.12 3.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.2 m -66.0 -172.56 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.182 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 2.9 t-105 -82.01 147.14 29.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.937 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.36 -32.85 40.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.865 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 106.86 23.85 6.91 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.505 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 60.5 t . . . . . 0 C--N 1.33 -0.267 0 CA-C-O 120.843 0.354 . . . . 0.0 111.131 -179.965 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 44.4 t . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.843 0.354 . . . . 0.0 111.109 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 79.1 m-20 -100.48 131.09 46.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.849 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 16.8 pt -127.07 32.68 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.115 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 16.7 t-80 -57.29 155.73 8.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.834 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.542 HG21 HG21 ' A' ' 9' ' ' VAL . 17.2 m -66.1 -172.51 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.159 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.403 ' O ' HG13 ' A' ' 9' ' ' VAL . 2.1 m-90 -77.96 136.85 38.05 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -63.79 132.94 52.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.87 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 110.02 23.52 6.1 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.506 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.542 HG21 HG21 ' A' ' 5' ' ' VAL . 28.9 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 120.846 0.355 . . . . 0.0 111.116 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 15.0 p . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.822 0.344 . . . . 0.0 111.14 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -109.35 134.58 51.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 43.9 pt -118.9 25.44 4.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 42.0 t-80 -169.33 132.67 1.29 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.3 m -66.05 -172.55 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.098 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 3.1 m-90 -74.94 147.08 41.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.881 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -108.48 47.93 0.88 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 78.9 23.08 64.78 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.481 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 23.5 t . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 120.824 0.345 . . . . 0.0 111.138 -179.958 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 58.2 t . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.83 0.347 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -134.81 102.48 5.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.831 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.522 ' O ' HD12 ' A' ' 3' ' ' ILE . 2.1 pp -97.62 25.74 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.144 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -111.29 128.58 55.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.853 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.3 m -66.11 -172.49 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.134 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 3.7 m-90 -74.5 142.81 44.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -106.74 29.15 7.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 89.82 20.21 44.48 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.498 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.3 m . . . . . 0 C--N 1.329 -0.283 0 CA-C-O 120.836 0.35 . . . . 0.0 111.118 -179.967 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 34.7 m . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.802 0.334 . . . . 0.0 111.123 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 42.0 t0 -123.92 78.56 1.64 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.2 pt -53.97 106.03 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.157 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 12.4 t-80 -106.24 146.38 30.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.836 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.4 m -66.05 -172.55 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.13 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 2.1 t-105 -81.85 144.72 30.82 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -52.79 -32.3 43.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 102.54 23.61 8.77 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.466 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 22.1 t . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 120.804 0.335 . . . . 0.0 111.17 179.979 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 47.4 t . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.842 0.353 . . . . 0.0 111.158 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -153.51 169.01 24.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 16.2 pt -132.54 35.36 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.16 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 44.8 t-80 -171.57 131.24 0.71 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.848 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 16.9 m -66.14 -172.45 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.114 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 5.4 t-105 -134.45 107.99 7.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -156.23 24.99 0.36 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.851 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 88.51 21.56 43.71 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.48 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 56.7 t . . . . . 0 C--N 1.329 -0.308 0 CA-C-O 120.804 0.335 . . . . 0.0 111.144 -179.966 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 43.8 t . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.843 0.354 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -148.23 140.42 24.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.822 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 7.4 pt -131.0 29.58 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.083 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -146.11 126.11 13.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.869 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.3 m -66.04 -172.56 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.124 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 2.7 m-90 -79.57 113.12 17.47 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.893 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -62.71 123.46 18.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 110.0 -16.05 30.65 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.481 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.1 t . . . . . 0 C--N 1.329 -0.299 0 CA-C-O 120.835 0.35 . . . . 0.0 111.125 -179.969 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 7.2 p . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.816 0.341 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 39.1 m-20 -58.54 126.97 29.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 7.7 pt -109.66 38.82 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.102 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 6.3 t-80 -63.34 125.18 23.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.3 m -66.07 -172.53 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.112 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 3.6 m-90 -75.38 145.68 41.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.06 -33.37 51.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 94.75 -16.06 62.03 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.491 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 18.4 m . . . . . 0 C--N 1.329 -0.292 0 CA-C-O 120.868 0.366 . . . . 0.0 111.12 -179.959 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 34.9 t . . . . . 0 N--CA 1.457 -0.082 0 CA-C-O 120.818 0.342 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -117.69 127.56 54.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.871 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 20.7 pt -115.49 32.83 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.125 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 56.2 t-80 -154.77 146.45 23.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.3 m -66.04 -172.61 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.114 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 2.9 m-90 -76.2 132.11 39.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.932 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -104.19 37.61 2.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.854 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 92.3 -15.97 60.91 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.506 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 6.6 m . . . . . 0 C--N 1.33 -0.267 0 CA-C-O 120.854 0.359 . . . . 0.0 111.106 -179.969 . . . . . . . . 0 0 . 1 stop_ save_