data_2n0h_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 2n0h _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 full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.51 -0.236 . . . . 55.030000000000001 112.51 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 14.9 p30 -89.23 -33.8 16.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.888 0.375 . . . . 70.439999999999998 110.947 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.411 ' O ' HG13 ' A' ' 6' ' ' VAL . 5.8 t60 -174.44 107.81 0.12 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.468 . . . . 75.150000000000006 110.846 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 53.6 t90 -92.8 -26.47 17.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 74.349999999999994 110.931 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -55.63 -25.71 40.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 65.239999999999995 111.01 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.411 HG13 ' O ' ' A' ' 3' ' ' HIS . 13.3 p -67.22 -28.94 44.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.287 -0.415 . . . . 61.530000000000001 111.19 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.96 -23.45 69.15 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.794 -0.717 . . . . 64.040000000000006 112.536 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 79.7 t60 -75.12 -41.14 59.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.859 0.361 . . . . 62.149999999999999 110.825 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.1 mt -86.25 -51.45 6.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 74.420000000000002 110.9 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 5.7 mmt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 73.400000000000006 110.934 179.813 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 N-CA-C 112.454 -0.258 . . . . 62.340000000000003 112.454 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 33.0 m-80 -89.93 -28.37 19.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.869 0.366 . . . . 74.109999999999999 110.876 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -173.66 107.09 0.14 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 73.409999999999997 110.814 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 51.3 t90 -103.97 -30.99 9.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.208 -0.451 . . . . 75.099999999999994 110.934 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.72 -25.77 63.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 74.319999999999993 111.129 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 11.4 p -63.39 -32.88 58.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 63.399999999999999 111.099 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -74.47 -21.2 79.15 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.828 -0.701 . . . . 32.310000000000002 112.477 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 80.5 t60 -77.58 -27.18 51.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.817 0.342 . . . . 74.0 110.85 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 19.5 mt -96.14 -36.67 10.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 52.030000000000001 110.911 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 10.7 mtt . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 74.349999999999994 110.886 179.811 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.577 -0.209 . . . . 44.43 112.577 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 46.4 p-10 -120.92 52.46 1.19 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.86 0.362 . . . . 75.420000000000002 110.834 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.445 ' O ' HG11 ' A' ' 6' ' ' VAL . 2.7 t-160 -131.96 87.44 2.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 75.409999999999997 110.791 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 72.4 t90 -94.5 -28.16 15.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 73.209999999999994 110.951 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.09 -27.57 65.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 74.510000000000005 111.105 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.445 HG11 ' O ' ' A' ' 3' ' ' HIS . 15.0 p -64.99 -28.14 44.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 75.439999999999998 111.13 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.17 22.16 36.23 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.769 -0.729 . . . . 51.020000000000003 112.518 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 85.7 t60 -115.73 -30.2 6.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.844 0.354 . . . . 73.420000000000002 110.913 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 16.7 mt -104.76 -60.27 1.62 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 64.519999999999996 110.878 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 7.0 mtt . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 74.439999999999998 110.936 179.83 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.519 -0.233 . . . . 71.450000000000003 112.519 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 49.7 m-20 -56.28 -33.51 65.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.865 0.364 . . . . 70.030000000000001 110.862 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -175.12 105.97 0.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 75.340000000000003 110.86 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 66.3 t90 -105.83 -31.3 8.89 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.271 -0.422 . . . . 63.420000000000002 110.841 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.21 -28.2 66.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.28 -0.418 . . . . 74.530000000000001 111.065 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 8.5 p -57.87 -31.94 41.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 73.400000000000006 111.073 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.32 -20.41 66.97 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.801 -0.714 . . . . 73.439999999999998 112.455 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 62.1 t60 -87.33 -32.03 19.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.783 0.325 . . . . 74.329999999999998 110.826 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 37.6 mt -95.7 -48.83 5.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.238 -0.437 . . . . 50.530000000000001 110.898 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 4.2 mtt . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.262 -0.426 . . . . 61.539999999999999 110.847 179.862 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.244 0 N-CA-C 112.491 -0.244 . . . . 71.420000000000002 112.491 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -82.94 67.68 9.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.807 0.337 . . . . 64.340000000000003 110.939 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 -174.09 107.3 0.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 72.519999999999996 110.85 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 40.6 t90 -106.72 -34.9 7.15 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.262 -0.426 . . . . 51.450000000000003 110.958 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.33 -26.21 51.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 74.510000000000005 111.126 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.4 p -58.2 -36.19 56.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 72.219999999999999 111.073 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.65 -20.2 78.4 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.842 -0.695 . . . . 50.32 112.459 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 82.7 t60 -90.79 -38.62 12.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.778 0.323 . . . . 64.019999999999996 110.84 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.1 mt -87.03 -65.49 1.01 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.207 -0.451 . . . . 63.340000000000003 110.918 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 21.7 mmt . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 71.129999999999995 110.873 179.855 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.517 -0.233 . . . . 72.230000000000004 112.517 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -91.56 77.24 5.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.894 0.378 . . . . 70.129999999999995 110.909 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 4.2 m80 -136.39 90.61 2.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.473 . . . . 74.109999999999999 110.896 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 11.5 t90 -113.88 -53.92 2.64 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.256 -0.429 . . . . 75.319999999999993 110.9 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.22 -25.31 65.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.439 . . . . 21.510000000000002 111.109 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 10.7 p -55.89 -25.41 18.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 71.25 111.103 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -85.28 -19.73 58.31 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.83 -0.7 . . . . 53.350000000000001 112.486 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 54.6 t60 -85.05 -42.11 15.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.856 0.36 . . . . 74.010000000000005 110.812 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.0 mt -78.73 -61.95 1.85 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 73.530000000000001 110.938 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 10.1 mmt . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 74.519999999999996 110.852 179.851 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.547 -0.221 . . . . 52.039999999999999 112.547 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -95.02 47.28 1.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.855 0.36 . . . . 70.209999999999994 110.893 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -165.67 100.25 0.68 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 75.349999999999994 110.832 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 71.4 t90 -101.31 -32.83 10.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 61.520000000000003 110.916 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.13 -27.78 67.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 74.329999999999998 111.139 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 15.0 p -58.61 -27.83 35.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 70.439999999999998 111.061 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -77.33 -20.43 74.99 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.84 -0.695 . . . . 74.230000000000004 112.515 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 80.3 t60 -88.9 -37.03 15.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.847 0.356 . . . . 71.25 110.843 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.5 mt -85.6 -59.5 2.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 71.519999999999996 110.908 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 34.3 mtt . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 55.210000000000001 110.846 179.858 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 N-CA-C 112.508 -0.237 . . . . 74.530000000000001 112.508 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 58.88 38.86 24.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.89 0.376 . . . . 72.349999999999994 110.909 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -173.47 106.77 0.14 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 75.230000000000004 110.815 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 52.9 t90 -106.77 -28.89 9.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.173 -0.467 . . . . 72.409999999999997 110.877 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.63 -26.04 65.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 45.240000000000002 111.083 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 11.2 p -66.24 -27.61 41.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.444 . . . . 53.340000000000003 111.117 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -92.27 19.63 48.66 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.76 -0.733 . . . . 71.030000000000001 112.499 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -120.28 -35.22 3.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.863 0.363 . . . . 73.310000000000002 110.908 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 16.5 mt -96.25 -59.15 1.9 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 53.329999999999998 110.909 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 19.3 ptm . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 63.109999999999999 110.868 179.88 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.529 -0.228 . . . . 44.210000000000001 112.529 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -100.53 81.43 2.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.861 0.363 . . . . 71.450000000000003 110.845 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 -174.42 106.56 0.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 71.129999999999995 110.846 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 28.3 t90 -109.25 -38.56 5.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.472 . . . . 74.25 110.889 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -53.76 -28.4 34.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 41.43 111.086 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 8.5 p -59.01 -29.59 41.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.165 -0.471 . . . . 45.409999999999997 111.094 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.51 -21.35 79.54 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.754 -0.736 . . . . 74.120000000000005 112.428 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -83.8 -28.1 28.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.848 0.356 . . . . 75.030000000000001 110.864 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.3 mt -91.03 -47.33 7.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 71.299999999999997 110.9 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 28.8 mtt . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 61.420000000000002 110.891 179.818 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.509 -0.237 . . . . 53.399999999999999 112.509 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 46.8 m-20 -93.58 -32.42 14.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.853 0.358 . . . . 75.329999999999998 110.844 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -168.95 103.75 0.39 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 60.240000000000002 110.869 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 70.3 t90 -100.03 -31.37 11.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 72.310000000000002 110.945 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.19 -25.93 59.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 51.32 111.137 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 8.9 p -64.12 -29.0 46.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 64.439999999999998 111.131 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.09 -20.62 72.5 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.766 -0.73 . . . . 32.520000000000003 112.529 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -77.94 -35.46 50.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.858 0.361 . . . . 70.409999999999997 110.87 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 33.9 mt -94.28 -58.31 2.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 75.310000000000002 110.92 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 82.9 mmm . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 74.120000000000005 110.855 179.835 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.503 -0.239 . . . . 63.420000000000002 112.503 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -131.17 54.36 1.92 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.77 0.319 . . . . 64.310000000000002 110.837 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -171.18 106.39 0.25 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 75.310000000000002 110.913 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 47.6 t90 -105.03 -32.58 8.66 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.249 -0.432 . . . . 74.040000000000006 110.848 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.72 -25.66 66.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.283 -0.417 . . . . 74.25 111.07 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.0 p -60.89 -29.13 44.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 73.239999999999995 111.114 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -92.75 21.19 40.45 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.789 -0.72 . . . . 62.43 112.475 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 72.9 t60 -122.43 -37.42 2.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.833 0.349 . . . . 65.049999999999997 110.857 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.9 mt -89.78 -38.6 13.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 61.409999999999997 110.917 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 11.2 mmt . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.491 . . . . 71.0 110.89 179.864 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.525 -0.23 . . . . 33.009999999999998 112.525 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 18.7 m-20 -82.81 82.78 7.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.825 0.345 . . . . 62.399999999999999 110.867 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 3.1 m80 -134.07 88.61 2.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 70.230000000000004 110.853 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 12.2 t90 -111.77 -53.5 2.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 62.109999999999999 110.904 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.87 -25.41 63.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 73.310000000000002 111.117 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 8.0 p -56.69 -25.77 22.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 72.400000000000006 111.112 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.14 22.13 40.23 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.814 -0.708 . . . . 65.450000000000003 112.559 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 70.8 t60 -121.12 -34.73 3.45 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.903 0.382 . . . . 75.510000000000005 110.862 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.5 mt -103.04 -48.32 4.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 73.219999999999999 110.968 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 28.9 mtt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.478 . . . . 75.329999999999998 110.895 179.867 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.509 -0.237 . . . . 62.530000000000001 112.509 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 38.7 m-80 -85.91 58.48 5.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.877 0.37 . . . . 73.099999999999994 110.9 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -173.2 103.92 0.13 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.112 -0.494 . . . . 52.32 110.852 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 66.2 t90 -96.06 -28.66 14.51 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.168 -0.469 . . . . 75.5 110.931 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.37 -25.64 50.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 74.329999999999998 111.064 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.3 p -65.31 -25.93 38.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 65.219999999999999 111.115 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.69 21.15 42.79 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.782 -0.723 . . . . 45.43 112.428 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 58.0 t60 -120.13 -37.48 3.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.79 0.328 . . . . 73.409999999999997 110.814 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 20.8 mt -97.04 -59.01 1.88 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.211 -0.449 . . . . 72.140000000000001 110.895 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 17.9 ptm . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.449 . . . . 71.430000000000007 110.909 179.866 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.501 -0.24 . . . . 60.399999999999999 112.501 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -122.04 33.97 5.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.875 0.369 . . . . 70.200000000000003 110.977 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -138.62 86.37 2.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.112 -0.494 . . . . 75.349999999999994 110.843 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 16.2 t90 -111.87 -49.96 2.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.213 -0.449 . . . . 74.140000000000001 110.912 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.82 -26.1 65.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 70.409999999999997 111.125 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.1 p -57.51 -25.99 25.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 62.109999999999999 111.067 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.81 -20.82 49.29 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.834 -0.698 . . . . 72.349999999999994 112.488 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 74.6 t60 -78.12 -37.6 45.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.812 0.339 . . . . 74.549999999999997 110.977 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.5 mt -83.05 -56.04 4.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.154 -0.475 . . . . 62.240000000000002 110.919 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 8.2 mmt . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 72.340000000000003 110.853 179.816 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.473 -0.251 . . . . 73.409999999999997 112.473 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -65.51 -28.42 69.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.869 0.366 . . . . 72.140000000000001 110.906 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -174.26 105.5 0.11 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 65.120000000000005 110.854 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 73.6 t90 -101.13 -30.02 11.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 72.230000000000004 110.962 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.98 -25.92 61.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 41.409999999999997 111.098 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.6 p -62.36 -28.76 45.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 54.240000000000002 111.122 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -92.31 20.01 46.42 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.831 -0.7 . . . . 74.219999999999999 112.487 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -118.88 -33.14 4.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.82 0.343 . . . . 75.230000000000004 110.82 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 24.1 mt -94.37 -62.14 1.39 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 75.040000000000006 110.913 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 22.3 mmt . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 64.230000000000004 110.84 179.881 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.459 -0.257 . . . . 62.549999999999997 112.459 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 17.9 p-10 -100.24 35.08 2.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.793 0.33 . . . . 75.010000000000005 110.868 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -169.2 104.46 0.38 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 75.230000000000004 110.885 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 51.7 t90 -102.73 -35.1 8.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 62.240000000000002 110.866 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.09 -26.22 62.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 62.049999999999997 111.039 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 8.1 p -62.09 -31.95 52.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.264 -0.426 . . . . 74.219999999999999 111.079 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.72 -20.99 75.63 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.783 -0.722 . . . . 71.340000000000003 112.399 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -81.05 -32.04 34.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.828 0.346 . . . . 70.109999999999999 110.845 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 16.5 mt -92.4 -58.3 2.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 73.510000000000005 110.914 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 32.1 mmt . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 74.420000000000002 110.817 179.907 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.545 -0.222 . . . . 73.120000000000005 112.545 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -56.43 -33.39 65.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.956 0.407 . . . . 71.120000000000005 110.905 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.417 ' O ' HG13 ' A' ' 6' ' ' VAL . 2.1 t-160 -170.77 101.05 0.23 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 73.530000000000001 110.869 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 58.6 t90 -97.11 -34.31 11.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.203 -0.453 . . . . 70.140000000000001 110.927 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.42 -25.84 51.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 44.439999999999998 111.157 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.417 HG13 ' O ' ' A' ' 3' ' ' HIS . 8.8 p -60.06 -33.76 54.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 74.109999999999999 111.116 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.86 -25.86 63.76 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.843 -0.694 . . . . 34.310000000000002 112.462 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 50.3 t60 -75.54 -36.07 60.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.836 0.35 . . . . 73.409999999999997 110.816 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 23.1 mt -89.55 -55.25 3.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 50.329999999999998 110.947 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 18.9 ptp . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 55.219999999999999 110.907 179.811 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 N-CA-C 112.496 -0.242 . . . . 73.040000000000006 112.496 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 26.0 m120 -69.74 -40.52 76.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.91 0.386 . . . . 72.310000000000002 110.886 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -171.65 107.44 0.24 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.164 -0.471 . . . . 33.329999999999998 110.855 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 53.6 t90 -100.7 -30.0 11.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 74.239999999999995 110.906 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.69 -25.34 68.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.293 -0.412 . . . . 75.109999999999999 111.084 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.7 p -58.76 -25.55 29.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 64.430000000000007 111.109 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.21 20.32 46.88 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.854 -0.689 . . . . 62.340000000000003 112.436 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 84.5 t60 -119.64 -34.23 3.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.88 0.371 . . . . 73.209999999999994 110.884 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 14.5 mt -95.83 -62.84 1.22 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 71.109999999999999 110.858 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 13.5 mmt . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 75.310000000000002 110.91 179.848 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.447 -0.261 . . . . 41.530000000000001 112.447 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 40.3 t30 -99.85 58.81 1.04 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.871 0.367 . . . . 65.040000000000006 110.928 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 7.4 m80 -162.14 103.43 1.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 71.450000000000003 110.833 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 9.0 t90 -120.93 -55.46 1.98 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.229 -0.441 . . . . 74.0 110.897 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.37 -25.72 62.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 54.340000000000003 111.125 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 13.6 p -54.09 -27.45 16.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.263 -0.426 . . . . 23.239999999999998 111.084 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.05 -26.01 32.56 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.766 -0.731 . . . . 74.219999999999999 112.557 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 84.5 t60 -75.94 -29.32 58.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.812 0.339 . . . . 75.239999999999995 110.856 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.2 mt -95.01 -54.04 3.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 65.310000000000002 110.922 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 60.0 mtp . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 44.020000000000003 110.873 179.832 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.479 -0.249 . . . . 64.519999999999996 112.479 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -69.36 -35.18 75.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.846 0.355 . . . . 71.439999999999998 110.884 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -173.26 107.72 0.15 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 75.040000000000006 110.829 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 55.6 t90 -102.81 -29.52 11.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 73.540000000000006 110.941 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.06 -26.67 60.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 62.310000000000002 111.096 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.6 p -63.05 -27.58 43.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.268 -0.424 . . . . 73.129999999999995 111.048 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -92.55 20.02 47.05 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.835 -0.698 . . . . 64.109999999999999 112.495 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 84.5 t60 -119.26 -36.93 3.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.921 0.391 . . . . 74.209999999999994 110.908 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 16.3 mt -93.09 -65.43 1.0 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 73.299999999999997 110.89 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 11.6 ptp . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 74.230000000000004 110.912 179.827 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.51 -0.236 . . . . 55.03 112.51 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 14.9 p30 -89.23 -33.8 16.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.888 0.375 . . . . 70.44 110.947 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.472 ' O ' HG12 ' A' ' 6' ' ' VAL . 5.8 t60 -174.44 107.81 0.12 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.468 . . . . 75.15 110.846 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 53.6 t90 -92.8 -26.47 17.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 74.35 110.931 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -55.63 -25.71 40.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 65.24 111.01 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.472 HG12 ' O ' ' A' ' 3' ' ' HIS . 13.3 p -67.22 -28.94 44.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.287 -0.415 . . . . 61.53 111.19 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.96 -23.45 69.15 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.794 -0.717 . . . . 64.04 112.536 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 79.7 t60 -75.12 -41.14 59.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.859 0.361 . . . . 62.15 110.825 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.1 mt -86.25 -51.45 6.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 74.42 110.9 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 5.7 mmt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 73.4 110.934 179.813 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 N-CA-C 112.454 -0.258 . . . . 62.34 112.454 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 33.0 m-80 -89.93 -28.37 19.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.869 0.366 . . . . 74.11 110.876 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -173.66 107.09 0.14 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 73.41 110.814 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 51.3 t90 -103.97 -30.99 9.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.208 -0.451 . . . . 75.1 110.934 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.72 -25.77 63.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 74.32 111.129 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 11.4 p -63.39 -32.88 58.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 63.4 111.099 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -74.47 -21.2 79.15 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.828 -0.701 . . . . 32.31 112.477 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 80.5 t60 -77.58 -27.18 51.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.817 0.342 . . . . 74.0 110.85 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 19.5 mt -96.14 -36.67 10.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 52.03 110.911 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 10.7 mtt . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 74.35 110.886 179.811 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.577 -0.209 . . . . 44.43 112.577 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 46.4 p-10 -120.92 52.46 1.19 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.86 0.362 . . . . 75.42 110.834 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.504 ' O ' HG12 ' A' ' 6' ' ' VAL . 2.7 t-160 -131.96 87.44 2.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 75.41 110.791 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 72.4 t90 -94.5 -28.16 15.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 73.21 110.951 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.09 -27.57 65.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 74.51 111.105 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.504 HG12 ' O ' ' A' ' 3' ' ' HIS . 15.0 p -64.99 -28.14 44.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 75.44 111.13 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.17 22.16 36.23 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.769 -0.729 . . . . 51.02 112.518 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 85.7 t60 -115.73 -30.2 6.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.844 0.354 . . . . 73.42 110.913 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 16.7 mt -104.76 -60.27 1.62 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 64.52 110.878 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 7.0 mtt . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 74.44 110.936 179.83 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.519 -0.233 . . . . 71.45 112.519 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 49.7 m-20 -56.28 -33.51 65.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.865 0.364 . . . . 70.03 110.862 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -175.12 105.97 0.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 75.34 110.86 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 66.3 t90 -105.83 -31.3 8.89 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.271 -0.422 . . . . 63.42 110.841 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.21 -28.2 66.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.28 -0.418 . . . . 74.53 111.065 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 8.5 p -57.87 -31.94 41.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 73.4 111.073 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.32 -20.41 66.97 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.801 -0.714 . . . . 73.44 112.455 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 62.1 t60 -87.33 -32.03 19.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.783 0.325 . . . . 74.33 110.826 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 37.6 mt -95.7 -48.83 5.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.238 -0.437 . . . . 50.53 110.898 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 4.2 mtt . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.262 -0.426 . . . . 61.54 110.847 179.862 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.244 0 N-CA-C 112.491 -0.244 . . . . 71.42 112.491 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -82.94 67.68 9.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.807 0.337 . . . . 64.34 110.939 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 -174.09 107.3 0.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 72.52 110.85 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 40.6 t90 -106.72 -34.9 7.15 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.262 -0.426 . . . . 51.45 110.958 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.33 -26.21 51.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 74.51 111.126 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.4 p -58.2 -36.19 56.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 72.22 111.073 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.65 -20.2 78.4 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.842 -0.695 . . . . 50.32 112.459 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 82.7 t60 -90.79 -38.62 12.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.778 0.323 . . . . 64.02 110.84 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.1 mt -87.03 -65.49 1.01 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.207 -0.451 . . . . 63.34 110.918 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 21.7 mmt . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 71.13 110.873 179.855 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.517 -0.233 . . . . 72.23 112.517 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -91.56 77.24 5.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.894 0.378 . . . . 70.13 110.909 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.456 ' HB3' HG11 ' A' ' 6' ' ' VAL . 4.2 m80 -136.39 90.61 2.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.473 . . . . 74.11 110.896 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 11.5 t90 -113.88 -53.92 2.64 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.256 -0.429 . . . . 75.32 110.9 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.22 -25.31 65.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.439 . . . . 21.51 111.109 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.456 HG11 ' HB3' ' A' ' 3' ' ' HIS . 10.7 p -55.89 -25.41 18.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 71.25 111.103 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -85.28 -19.73 58.31 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.83 -0.7 . . . . 53.35 112.486 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 54.6 t60 -85.05 -42.11 15.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.856 0.36 . . . . 74.01 110.812 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.0 mt -78.73 -61.95 1.85 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 73.53 110.938 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 10.1 mmt . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 74.52 110.852 179.851 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.547 -0.221 . . . . 52.04 112.547 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -95.02 47.28 1.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.855 0.36 . . . . 70.21 110.893 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -165.67 100.25 0.68 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 75.35 110.832 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 71.4 t90 -101.31 -32.83 10.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 61.52 110.916 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.13 -27.78 67.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 74.33 111.139 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 15.0 p -58.61 -27.83 35.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 70.44 111.061 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -77.33 -20.43 74.99 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.84 -0.695 . . . . 74.23 112.515 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 80.3 t60 -88.9 -37.03 15.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.847 0.356 . . . . 71.25 110.843 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.5 mt -85.6 -59.5 2.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 71.52 110.908 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 34.3 mtt . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 55.21 110.846 179.858 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 N-CA-C 112.508 -0.237 . . . . 74.53 112.508 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 58.88 38.86 24.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.89 0.376 . . . . 72.35 110.909 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -173.47 106.77 0.14 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 75.23 110.815 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 52.9 t90 -106.77 -28.89 9.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.173 -0.467 . . . . 72.41 110.877 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.63 -26.04 65.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 45.24 111.083 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 11.2 p -66.24 -27.61 41.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.444 . . . . 53.34 111.117 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -92.27 19.63 48.66 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.76 -0.733 . . . . 71.03 112.499 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -120.28 -35.22 3.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.863 0.363 . . . . 73.31 110.908 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 16.5 mt -96.25 -59.15 1.9 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 53.33 110.909 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 19.3 ptm . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 63.11 110.868 179.88 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.529 -0.228 . . . . 44.21 112.529 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -100.53 81.43 2.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.861 0.363 . . . . 71.45 110.845 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 -174.42 106.56 0.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 71.13 110.846 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 28.3 t90 -109.25 -38.56 5.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.472 . . . . 74.25 110.889 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -53.76 -28.4 34.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 41.43 111.086 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 8.5 p -59.01 -29.59 41.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.165 -0.471 . . . . 45.41 111.094 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.51 -21.35 79.54 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.754 -0.736 . . . . 74.12 112.428 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -83.8 -28.1 28.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.848 0.356 . . . . 75.03 110.864 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.3 mt -91.03 -47.33 7.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 71.3 110.9 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 28.8 mtt . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 61.42 110.891 179.818 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.509 -0.237 . . . . 53.4 112.509 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 46.8 m-20 -93.58 -32.42 14.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.853 0.358 . . . . 75.33 110.844 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -168.95 103.75 0.39 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 60.24 110.869 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 70.3 t90 -100.03 -31.37 11.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 72.31 110.945 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.19 -25.93 59.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 51.32 111.137 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 8.9 p -64.12 -29.0 46.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 64.44 111.131 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.09 -20.62 72.5 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.766 -0.73 . . . . 32.52 112.529 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -77.94 -35.46 50.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.858 0.361 . . . . 70.41 110.87 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 33.9 mt -94.28 -58.31 2.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 75.31 110.92 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 82.9 mmm . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 74.12 110.855 179.835 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.503 -0.239 . . . . 63.42 112.503 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -131.17 54.36 1.92 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.77 0.319 . . . . 64.31 110.837 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -171.18 106.39 0.25 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 75.31 110.913 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 47.6 t90 -105.03 -32.58 8.66 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.249 -0.432 . . . . 74.04 110.848 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.72 -25.66 66.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.283 -0.417 . . . . 74.25 111.07 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.0 p -60.89 -29.13 44.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 73.24 111.114 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -92.75 21.19 40.45 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.789 -0.72 . . . . 62.43 112.475 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 72.9 t60 -122.43 -37.42 2.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.833 0.349 . . . . 65.05 110.857 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.9 mt -89.78 -38.6 13.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 61.41 110.917 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 11.2 mmt . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.491 . . . . 71.0 110.89 179.864 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.525 -0.23 . . . . 33.01 112.525 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 18.7 m-20 -82.81 82.78 7.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.825 0.345 . . . . 62.4 110.867 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.478 ' HB3' HG11 ' A' ' 6' ' ' VAL . 3.1 m80 -134.07 88.61 2.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 70.23 110.853 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 12.2 t90 -111.77 -53.5 2.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 62.11 110.904 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.87 -25.41 63.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 73.31 111.117 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.478 HG11 ' HB3' ' A' ' 3' ' ' HIS . 8.0 p -56.69 -25.77 22.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 72.4 111.112 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.14 22.13 40.23 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.814 -0.708 . . . . 65.45 112.559 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 70.8 t60 -121.12 -34.73 3.45 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.903 0.382 . . . . 75.51 110.862 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.5 mt -103.04 -48.32 4.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 73.22 110.968 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 28.9 mtt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.478 . . . . 75.33 110.895 179.867 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.509 -0.237 . . . . 62.53 112.509 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 38.7 m-80 -85.91 58.48 5.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.877 0.37 . . . . 73.1 110.9 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -173.2 103.92 0.13 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.112 -0.494 . . . . 52.32 110.852 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 66.2 t90 -96.06 -28.66 14.51 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.168 -0.469 . . . . 75.5 110.931 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.37 -25.64 50.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 74.33 111.064 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.3 p -65.31 -25.93 38.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 65.22 111.115 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.69 21.15 42.79 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.782 -0.723 . . . . 45.43 112.428 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 58.0 t60 -120.13 -37.48 3.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.79 0.328 . . . . 73.41 110.814 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 20.8 mt -97.04 -59.01 1.88 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.211 -0.449 . . . . 72.14 110.895 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 17.9 ptm . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.449 . . . . 71.43 110.909 179.866 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.501 -0.24 . . . . 60.4 112.501 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -122.04 33.97 5.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.875 0.369 . . . . 70.2 110.977 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -138.62 86.37 2.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.112 -0.494 . . . . 75.35 110.843 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 16.2 t90 -111.87 -49.96 2.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.213 -0.449 . . . . 74.14 110.912 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.82 -26.1 65.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 70.41 111.125 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.1 p -57.51 -25.99 25.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 62.11 111.067 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.81 -20.82 49.29 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.834 -0.698 . . . . 72.35 112.488 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 74.6 t60 -78.12 -37.6 45.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.812 0.339 . . . . 74.55 110.977 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.5 mt -83.05 -56.04 4.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.154 -0.475 . . . . 62.24 110.919 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 8.2 mmt . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 72.34 110.853 179.816 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.473 -0.251 . . . . 73.41 112.473 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -65.51 -28.42 69.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.869 0.366 . . . . 72.14 110.906 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -174.26 105.5 0.11 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 65.12 110.854 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 73.6 t90 -101.13 -30.02 11.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 72.23 110.962 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.98 -25.92 61.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 41.41 111.098 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.6 p -62.36 -28.76 45.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 54.24 111.122 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -92.31 20.01 46.42 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.831 -0.7 . . . . 74.22 112.487 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -118.88 -33.14 4.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.82 0.343 . . . . 75.23 110.82 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 24.1 mt -94.37 -62.14 1.39 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 75.04 110.913 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 22.3 mmt . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 64.23 110.84 179.881 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.459 -0.257 . . . . 62.55 112.459 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 17.9 p-10 -100.24 35.08 2.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.793 0.33 . . . . 75.01 110.868 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -169.2 104.46 0.38 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 75.23 110.885 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 51.7 t90 -102.73 -35.1 8.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 62.24 110.866 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.09 -26.22 62.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 62.05 111.039 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 8.1 p -62.09 -31.95 52.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.264 -0.426 . . . . 74.22 111.079 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.72 -20.99 75.63 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.783 -0.722 . . . . 71.34 112.399 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -81.05 -32.04 34.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.828 0.346 . . . . 70.11 110.845 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 16.5 mt -92.4 -58.3 2.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 73.51 110.914 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 32.1 mmt . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 74.42 110.817 179.907 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.545 -0.222 . . . . 73.12 112.545 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -56.43 -33.39 65.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.956 0.407 . . . . 71.12 110.905 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.472 ' O ' HG12 ' A' ' 6' ' ' VAL . 2.1 t-160 -170.77 101.05 0.23 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 73.53 110.869 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 58.6 t90 -97.11 -34.31 11.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.203 -0.453 . . . . 70.14 110.927 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.42 -25.84 51.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 44.44 111.157 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.472 HG12 ' O ' ' A' ' 3' ' ' HIS . 8.8 p -60.06 -33.76 54.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 74.11 111.116 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.86 -25.86 63.76 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.843 -0.694 . . . . 34.31 112.462 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 50.3 t60 -75.54 -36.07 60.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.836 0.35 . . . . 73.41 110.816 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 23.1 mt -89.55 -55.25 3.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 50.33 110.947 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 18.9 ptp . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 55.22 110.907 179.811 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 N-CA-C 112.496 -0.242 . . . . 73.04 112.496 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 26.0 m120 -69.74 -40.52 76.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.91 0.386 . . . . 72.31 110.886 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -171.65 107.44 0.24 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.164 -0.471 . . . . 33.33 110.855 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 53.6 t90 -100.7 -30.0 11.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 74.24 110.906 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.69 -25.34 68.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.293 -0.412 . . . . 75.11 111.084 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.7 p -58.76 -25.55 29.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 64.43 111.109 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.21 20.32 46.88 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.854 -0.689 . . . . 62.34 112.436 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 84.5 t60 -119.64 -34.23 3.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.88 0.371 . . . . 73.21 110.884 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 14.5 mt -95.83 -62.84 1.22 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 71.11 110.858 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 13.5 mmt . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 75.31 110.91 179.848 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.447 -0.261 . . . . 41.53 112.447 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 40.3 t30 -99.85 58.81 1.04 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.871 0.367 . . . . 65.04 110.928 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 7.4 m80 -162.14 103.43 1.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 71.45 110.833 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 9.0 t90 -120.93 -55.46 1.98 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.229 -0.441 . . . . 74.0 110.897 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.37 -25.72 62.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 54.34 111.125 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 13.6 p -54.09 -27.45 16.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.263 -0.426 . . . . 23.24 111.084 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.05 -26.01 32.56 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.766 -0.731 . . . . 74.22 112.557 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 84.5 t60 -75.94 -29.32 58.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.812 0.339 . . . . 75.24 110.856 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.2 mt -95.01 -54.04 3.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 65.31 110.922 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 60.0 mtp . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 44.02 110.873 179.832 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.479 -0.249 . . . . 64.52 112.479 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -69.36 -35.18 75.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.846 0.355 . . . . 71.44 110.884 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -173.26 107.72 0.15 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 75.04 110.829 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 55.6 t90 -102.81 -29.52 11.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 73.54 110.941 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.06 -26.67 60.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 62.31 111.096 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.6 p -63.05 -27.58 43.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.268 -0.424 . . . . 73.13 111.048 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -92.55 20.02 47.05 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.835 -0.698 . . . . 64.11 112.495 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 84.5 t60 -119.26 -36.93 3.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.921 0.391 . . . . 74.21 110.908 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 16.3 mt -93.09 -65.43 1.0 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 73.3 110.89 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 11.6 ptp . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 74.23 110.912 179.827 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.51 -0.236 . . . . 55.03 112.51 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 14.9 p30 -89.23 -33.8 16.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.888 0.375 . . . . 70.44 110.947 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.472 ' O ' HG12 ' A' ' 6' ' ' VAL . 5.8 t60 -174.44 107.81 0.12 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.468 . . . . 75.15 110.846 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 53.6 t90 -92.8 -26.47 17.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 74.35 110.931 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -55.63 -25.71 40.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 65.24 111.01 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.472 HG12 ' O ' ' A' ' 3' ' ' HIS . 13.3 p -67.22 -28.94 44.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.287 -0.415 . . . . 61.53 111.19 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.96 -23.45 69.15 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.794 -0.717 . . . . 64.04 112.536 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 79.7 t60 -75.12 -41.14 59.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.859 0.361 . . . . 62.15 110.825 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.1 mt -86.25 -51.45 6.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 74.42 110.9 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 5.7 mmt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 73.4 110.934 179.813 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 N-CA-C 112.454 -0.258 . . . . 62.34 112.454 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 33.0 m-80 -89.93 -28.37 19.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.869 0.366 . . . . 74.11 110.876 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -173.66 107.09 0.14 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 73.41 110.814 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 51.3 t90 -103.97 -30.99 9.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.208 -0.451 . . . . 75.1 110.934 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.72 -25.77 63.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 74.32 111.129 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 11.4 p -63.39 -32.88 58.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 63.4 111.099 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -74.47 -21.2 79.15 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.828 -0.701 . . . . 32.31 112.477 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 80.5 t60 -77.58 -27.18 51.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.817 0.342 . . . . 74.0 110.85 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 19.5 mt -96.14 -36.67 10.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 52.03 110.911 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 10.7 mtt . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 74.35 110.886 179.811 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.577 -0.209 . . . . 44.43 112.577 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 46.4 p-10 -120.92 52.46 1.19 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.86 0.362 . . . . 75.42 110.834 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.504 ' O ' HG12 ' A' ' 6' ' ' VAL . 2.7 t-160 -131.96 87.44 2.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 75.41 110.791 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 72.4 t90 -94.5 -28.16 15.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 73.21 110.951 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.09 -27.57 65.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 74.51 111.105 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.504 HG12 ' O ' ' A' ' 3' ' ' HIS . 15.0 p -64.99 -28.14 44.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 75.44 111.13 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.17 22.16 36.23 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.769 -0.729 . . . . 51.02 112.518 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 85.7 t60 -115.73 -30.2 6.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.844 0.354 . . . . 73.42 110.913 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 16.7 mt -104.76 -60.27 1.62 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 64.52 110.878 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 7.0 mtt . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 74.44 110.936 179.83 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.519 -0.233 . . . . 71.45 112.519 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 49.7 m-20 -56.28 -33.51 65.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.865 0.364 . . . . 70.03 110.862 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -175.12 105.97 0.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 75.34 110.86 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 66.3 t90 -105.83 -31.3 8.89 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.271 -0.422 . . . . 63.42 110.841 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.21 -28.2 66.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.28 -0.418 . . . . 74.53 111.065 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 8.5 p -57.87 -31.94 41.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 73.4 111.073 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.32 -20.41 66.97 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.801 -0.714 . . . . 73.44 112.455 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 62.1 t60 -87.33 -32.03 19.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.783 0.325 . . . . 74.33 110.826 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 37.6 mt -95.7 -48.83 5.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.238 -0.437 . . . . 50.53 110.898 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 4.2 mtt . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.262 -0.426 . . . . 61.54 110.847 179.862 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.244 0 N-CA-C 112.491 -0.244 . . . . 71.42 112.491 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -82.94 67.68 9.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.807 0.337 . . . . 64.34 110.939 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 -174.09 107.3 0.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 72.52 110.85 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 40.6 t90 -106.72 -34.9 7.15 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.262 -0.426 . . . . 51.45 110.958 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.33 -26.21 51.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 74.51 111.126 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.4 p -58.2 -36.19 56.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 72.22 111.073 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.65 -20.2 78.4 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.842 -0.695 . . . . 50.32 112.459 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 82.7 t60 -90.79 -38.62 12.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.778 0.323 . . . . 64.02 110.84 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.1 mt -87.03 -65.49 1.01 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.207 -0.451 . . . . 63.34 110.918 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 21.7 mmt . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 71.13 110.873 179.855 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.517 -0.233 . . . . 72.23 112.517 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -91.56 77.24 5.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.894 0.378 . . . . 70.13 110.909 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.456 ' HB3' HG11 ' A' ' 6' ' ' VAL . 4.2 m80 -136.39 90.61 2.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.473 . . . . 74.11 110.896 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 11.5 t90 -113.88 -53.92 2.64 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.256 -0.429 . . . . 75.32 110.9 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.22 -25.31 65.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.439 . . . . 21.51 111.109 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.456 HG11 ' HB3' ' A' ' 3' ' ' HIS . 10.7 p -55.89 -25.41 18.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 71.25 111.103 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -85.28 -19.73 58.31 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.83 -0.7 . . . . 53.35 112.486 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 54.6 t60 -85.05 -42.11 15.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.856 0.36 . . . . 74.01 110.812 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.0 mt -78.73 -61.95 1.85 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 73.53 110.938 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 10.1 mmt . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 74.52 110.852 179.851 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.547 -0.221 . . . . 52.04 112.547 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -95.02 47.28 1.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.855 0.36 . . . . 70.21 110.893 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -165.67 100.25 0.68 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 75.35 110.832 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 71.4 t90 -101.31 -32.83 10.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 61.52 110.916 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.13 -27.78 67.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 74.33 111.139 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 15.0 p -58.61 -27.83 35.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 70.44 111.061 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -77.33 -20.43 74.99 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.84 -0.695 . . . . 74.23 112.515 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 80.3 t60 -88.9 -37.03 15.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.847 0.356 . . . . 71.25 110.843 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.5 mt -85.6 -59.5 2.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 71.52 110.908 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 34.3 mtt . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 55.21 110.846 179.858 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 N-CA-C 112.508 -0.237 . . . . 74.53 112.508 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 58.88 38.86 24.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.89 0.376 . . . . 72.35 110.909 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -173.47 106.77 0.14 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 75.23 110.815 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 52.9 t90 -106.77 -28.89 9.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.173 -0.467 . . . . 72.41 110.877 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.63 -26.04 65.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 45.24 111.083 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 11.2 p -66.24 -27.61 41.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.444 . . . . 53.34 111.117 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -92.27 19.63 48.66 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.76 -0.733 . . . . 71.03 112.499 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -120.28 -35.22 3.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.863 0.363 . . . . 73.31 110.908 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 16.5 mt -96.25 -59.15 1.9 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 53.33 110.909 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 19.3 ptm . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 63.11 110.868 179.88 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.529 -0.228 . . . . 44.21 112.529 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -100.53 81.43 2.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.861 0.363 . . . . 71.45 110.845 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 -174.42 106.56 0.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 71.13 110.846 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 28.3 t90 -109.25 -38.56 5.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.472 . . . . 74.25 110.889 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -53.76 -28.4 34.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 41.43 111.086 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 8.5 p -59.01 -29.59 41.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.165 -0.471 . . . . 45.41 111.094 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.51 -21.35 79.54 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.754 -0.736 . . . . 74.12 112.428 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -83.8 -28.1 28.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.848 0.356 . . . . 75.03 110.864 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.3 mt -91.03 -47.33 7.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 71.3 110.9 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 28.8 mtt . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 61.42 110.891 179.818 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.509 -0.237 . . . . 53.4 112.509 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 46.8 m-20 -93.58 -32.42 14.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.853 0.358 . . . . 75.33 110.844 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -168.95 103.75 0.39 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 60.24 110.869 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 70.3 t90 -100.03 -31.37 11.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 72.31 110.945 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.19 -25.93 59.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 51.32 111.137 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 8.9 p -64.12 -29.0 46.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 64.44 111.131 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.09 -20.62 72.5 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.766 -0.73 . . . . 32.52 112.529 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -77.94 -35.46 50.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.858 0.361 . . . . 70.41 110.87 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 33.9 mt -94.28 -58.31 2.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 75.31 110.92 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 82.9 mmm . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 74.12 110.855 179.835 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.503 -0.239 . . . . 63.42 112.503 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -131.17 54.36 1.92 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.77 0.319 . . . . 64.31 110.837 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -171.18 106.39 0.25 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 75.31 110.913 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 47.6 t90 -105.03 -32.58 8.66 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.249 -0.432 . . . . 74.04 110.848 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.72 -25.66 66.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.283 -0.417 . . . . 74.25 111.07 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.0 p -60.89 -29.13 44.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 73.24 111.114 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -92.75 21.19 40.45 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.789 -0.72 . . . . 62.43 112.475 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 72.9 t60 -122.43 -37.42 2.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.833 0.349 . . . . 65.05 110.857 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.9 mt -89.78 -38.6 13.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 61.41 110.917 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 11.2 mmt . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.491 . . . . 71.0 110.89 179.864 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.525 -0.23 . . . . 33.01 112.525 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 18.7 m-20 -82.81 82.78 7.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.825 0.345 . . . . 62.4 110.867 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.478 ' HB3' HG11 ' A' ' 6' ' ' VAL . 3.1 m80 -134.07 88.61 2.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 70.23 110.853 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 12.2 t90 -111.77 -53.5 2.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 62.11 110.904 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.87 -25.41 63.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 73.31 111.117 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.478 HG11 ' HB3' ' A' ' 3' ' ' HIS . 8.0 p -56.69 -25.77 22.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 72.4 111.112 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.14 22.13 40.23 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.814 -0.708 . . . . 65.45 112.559 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 70.8 t60 -121.12 -34.73 3.45 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.903 0.382 . . . . 75.51 110.862 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.5 mt -103.04 -48.32 4.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 73.22 110.968 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 28.9 mtt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.478 . . . . 75.33 110.895 179.867 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.509 -0.237 . . . . 62.53 112.509 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 38.7 m-80 -85.91 58.48 5.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.877 0.37 . . . . 73.1 110.9 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -173.2 103.92 0.13 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.112 -0.494 . . . . 52.32 110.852 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 66.2 t90 -96.06 -28.66 14.51 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.168 -0.469 . . . . 75.5 110.931 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.37 -25.64 50.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 74.33 111.064 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.3 p -65.31 -25.93 38.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 65.22 111.115 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.69 21.15 42.79 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.782 -0.723 . . . . 45.43 112.428 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 58.0 t60 -120.13 -37.48 3.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.79 0.328 . . . . 73.41 110.814 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 20.8 mt -97.04 -59.01 1.88 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.211 -0.449 . . . . 72.14 110.895 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 17.9 ptm . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.449 . . . . 71.43 110.909 179.866 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.501 -0.24 . . . . 60.4 112.501 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -122.04 33.97 5.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.875 0.369 . . . . 70.2 110.977 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -138.62 86.37 2.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.112 -0.494 . . . . 75.35 110.843 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 16.2 t90 -111.87 -49.96 2.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.213 -0.449 . . . . 74.14 110.912 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.82 -26.1 65.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 70.41 111.125 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.1 p -57.51 -25.99 25.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 62.11 111.067 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.81 -20.82 49.29 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.834 -0.698 . . . . 72.35 112.488 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 74.6 t60 -78.12 -37.6 45.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.812 0.339 . . . . 74.55 110.977 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.5 mt -83.05 -56.04 4.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.154 -0.475 . . . . 62.24 110.919 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 8.2 mmt . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 72.34 110.853 179.816 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.473 -0.251 . . . . 73.41 112.473 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -65.51 -28.42 69.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.869 0.366 . . . . 72.14 110.906 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -174.26 105.5 0.11 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 65.12 110.854 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 73.6 t90 -101.13 -30.02 11.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 72.23 110.962 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.98 -25.92 61.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 41.41 111.098 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.6 p -62.36 -28.76 45.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 54.24 111.122 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -92.31 20.01 46.42 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.831 -0.7 . . . . 74.22 112.487 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -118.88 -33.14 4.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.82 0.343 . . . . 75.23 110.82 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 24.1 mt -94.37 -62.14 1.39 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 75.04 110.913 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 22.3 mmt . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 64.23 110.84 179.881 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.459 -0.257 . . . . 62.55 112.459 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 17.9 p-10 -100.24 35.08 2.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.793 0.33 . . . . 75.01 110.868 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -169.2 104.46 0.38 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 75.23 110.885 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 51.7 t90 -102.73 -35.1 8.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 62.24 110.866 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.09 -26.22 62.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 62.05 111.039 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 8.1 p -62.09 -31.95 52.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.264 -0.426 . . . . 74.22 111.079 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.72 -20.99 75.63 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.783 -0.722 . . . . 71.34 112.399 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -81.05 -32.04 34.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.828 0.346 . . . . 70.11 110.845 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 16.5 mt -92.4 -58.3 2.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 73.51 110.914 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 32.1 mmt . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 74.42 110.817 179.907 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.545 -0.222 . . . . 73.12 112.545 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -56.43 -33.39 65.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.956 0.407 . . . . 71.12 110.905 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.472 ' O ' HG12 ' A' ' 6' ' ' VAL . 2.1 t-160 -170.77 101.05 0.23 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 73.53 110.869 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 58.6 t90 -97.11 -34.31 11.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.203 -0.453 . . . . 70.14 110.927 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.42 -25.84 51.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 44.44 111.157 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.472 HG12 ' O ' ' A' ' 3' ' ' HIS . 8.8 p -60.06 -33.76 54.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 74.11 111.116 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.86 -25.86 63.76 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.843 -0.694 . . . . 34.31 112.462 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 50.3 t60 -75.54 -36.07 60.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.836 0.35 . . . . 73.41 110.816 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 23.1 mt -89.55 -55.25 3.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 50.33 110.947 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 18.9 ptp . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 55.22 110.907 179.811 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 N-CA-C 112.496 -0.242 . . . . 73.04 112.496 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 26.0 m120 -69.74 -40.52 76.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.91 0.386 . . . . 72.31 110.886 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -171.65 107.44 0.24 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.164 -0.471 . . . . 33.33 110.855 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 53.6 t90 -100.7 -30.0 11.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 74.24 110.906 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.69 -25.34 68.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.293 -0.412 . . . . 75.11 111.084 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.7 p -58.76 -25.55 29.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 64.43 111.109 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.21 20.32 46.88 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.854 -0.689 . . . . 62.34 112.436 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 84.5 t60 -119.64 -34.23 3.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.88 0.371 . . . . 73.21 110.884 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 14.5 mt -95.83 -62.84 1.22 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 71.11 110.858 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 13.5 mmt . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 75.31 110.91 179.848 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.447 -0.261 . . . . 41.53 112.447 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 40.3 t30 -99.85 58.81 1.04 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.871 0.367 . . . . 65.04 110.928 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 7.4 m80 -162.14 103.43 1.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 71.45 110.833 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 9.0 t90 -120.93 -55.46 1.98 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.229 -0.441 . . . . 74.0 110.897 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.37 -25.72 62.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 54.34 111.125 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 13.6 p -54.09 -27.45 16.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.263 -0.426 . . . . 23.24 111.084 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.05 -26.01 32.56 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.766 -0.731 . . . . 74.22 112.557 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 84.5 t60 -75.94 -29.32 58.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.812 0.339 . . . . 75.24 110.856 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.2 mt -95.01 -54.04 3.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 65.31 110.922 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 60.0 mtp . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 44.02 110.873 179.832 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.479 -0.249 . . . . 64.52 112.479 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -69.36 -35.18 75.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.846 0.355 . . . . 71.44 110.884 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -173.26 107.72 0.15 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 75.04 110.829 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 55.6 t90 -102.81 -29.52 11.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 73.54 110.941 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.06 -26.67 60.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 62.31 111.096 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.6 p -63.05 -27.58 43.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.268 -0.424 . . . . 73.13 111.048 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -92.55 20.02 47.05 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.835 -0.698 . . . . 64.11 112.495 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 84.5 t60 -119.26 -36.93 3.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.921 0.391 . . . . 74.21 110.908 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 16.3 mt -93.09 -65.43 1.0 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 73.3 110.89 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 11.6 ptp . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 74.23 110.912 179.827 . . . . . . . . 0 0 . 1 stop_ save_