data_2mq2_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 2mq2 _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.478 -0.249 . . . . 55.24 112.478 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -62.82 -18.4 59.49 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.79 -0.719 . . . . 71.23 112.51 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.715 ' C ' ' HA ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -103.43 36.24 2.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.811 0.339 . . . . 73.13 110.828 -179.835 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 12.3 mt -129.17 109.23 10.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 73.03 110.892 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.413 ' H ' HG11 ' A' ' 11' ' ' VAL . 9.2 t80 -56.42 -18.81 12.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 74.21 110.903 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 19.9 mtt85 -42.11 -42.4 2.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 74.51 110.895 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 15.8 mmt180 -113.32 -43.61 3.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 75.35 110.84 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 55.7 mtp180 -127.06 -104.48 0.33 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 74.03 110.899 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.596 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 4.9 t80 -141.35 150.05 41.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 72.12 110.887 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.715 ' HA ' ' C ' ' A' ' 4' ' ' ARG . 5.0 m -76.19 57.22 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 72.44 111.119 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.562 ' CG2' ' H ' ' A' ' 13' ' ' GLY . 3.7 m -73.63 -108.93 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 61.43 111.145 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.562 ' H ' ' CG2' ' A' ' 12' ' ' VAL . . . -121.96 -64.91 0.23 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.724 -0.75 . . . . 63.13 112.438 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 120.81 0.338 . . . . 75.14 110.882 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.482 -0.247 . . . . 74.22 112.482 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -60.68 -18.69 53.12 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.76 -0.733 . . . . 64.24 112.507 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.723 ' C ' ' HA ' ' A' ' 11' ' ' VAL . 0.1 OUTLIER -102.94 36.07 2.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.844 0.354 . . . . 73.14 110.862 -179.829 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -129.06 110.09 11.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 74.21 110.923 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.408 ' H ' HG11 ' A' ' 11' ' ' VAL . 9.2 t80 -57.22 -18.31 15.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 74.1 110.931 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.36 -42.72 3.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 72.54 110.873 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -113.28 -43.28 3.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 74.33 110.856 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 84.6 mtt180 -127.02 -104.74 0.33 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 73.12 110.858 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.594 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 4.8 t80 -141.3 150.19 42.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 75.4 110.874 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.723 ' HA ' ' C ' ' A' ' 4' ' ' ARG . 5.2 m -76.16 57.25 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 75.41 111.153 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.563 ' N ' ' HD1' ' A' ' 10' ' ' PHE . 3.7 m -73.6 -108.96 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.48 . . . . 73.12 111.162 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.544 ' H ' ' CG2' ' A' ' 12' ' ' VAL . . . -121.94 -64.94 0.23 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.756 -0.735 . . . . 72.14 112.521 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 120.842 0.354 . . . . 75.25 110.912 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.458 -0.257 . . . . 70.54 112.458 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -64.52 -16.74 61.26 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.772 -0.728 . . . . 70.42 112.483 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.734 ' C ' ' HA ' ' A' ' 11' ' ' VAL . 0.3 OUTLIER -103.52 36.25 2.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.869 0.366 . . . . 74.1 110.832 -179.816 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 12.9 mt -129.21 109.26 11.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 72.02 110.928 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.405 ' H ' HG11 ' A' ' 11' ' ' VAL . 6.8 t80 -56.43 -18.76 12.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 74.34 110.939 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 8.8 mmt180 -42.13 -42.5 2.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.488 . . . . 75.12 110.841 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 11.5 ptm180 -113.35 -43.51 3.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 72.12 110.838 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 30.1 mmt-85 -127.12 -104.57 0.33 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 72.31 110.853 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.589 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 4.9 t80 -141.3 150.05 42.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 72.01 110.873 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.734 ' HA ' ' C ' ' A' ' 4' ' ' ARG . 5.0 m -76.18 57.23 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 74.31 111.128 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.564 ' CG2' ' H ' ' A' ' 13' ' ' GLY . 3.8 m -73.73 -109.06 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 75.43 111.131 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.564 ' H ' ' CG2' ' A' ' 12' ' ' VAL . . . -121.96 -64.9 0.23 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.765 -0.731 . . . . 75.42 112.49 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 120.837 0.351 . . . . 72.22 110.831 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.48 -0.248 . . . . 43.34 112.48 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -62.91 -18.15 59.41 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.791 -0.718 . . . . 74.04 112.489 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.731 ' C ' ' HA ' ' A' ' 11' ' ' VAL . 0.7 OUTLIER -103.44 36.23 2.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.913 0.387 . . . . 73.12 110.914 -179.859 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 13.2 mt -129.17 109.21 10.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 74.45 110.908 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.41 ' H ' HG11 ' A' ' 11' ' ' VAL . 7.9 t80 -56.34 -18.91 12.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 75.31 110.917 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.08 -42.42 2.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.101 -0.5 . . . . 73.44 110.839 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 19.8 mtt-85 -113.3 -43.63 3.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 75.12 110.855 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.8 mtt180 -127.11 -104.47 0.33 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 72.2 110.844 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.594 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 4.8 t80 -141.33 150.11 42.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 73.41 110.911 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.731 ' HA ' ' C ' ' A' ' 4' ' ' ARG . 5.0 m -76.24 57.19 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 75.33 111.134 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.559 ' N ' ' HD1' ' A' ' 10' ' ' PHE . 3.8 m -73.65 -109.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 73.32 111.141 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.553 ' H ' ' CG2' ' A' ' 12' ' ' VAL . . . -121.91 -64.87 0.23 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.71 -0.757 . . . . 23.41 112.481 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-O 120.796 0.331 . . . . 75.04 110.899 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.498 -0.241 . . . . 65.44 112.498 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -62.77 -17.9 58.62 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.741 -0.742 . . . . 75.4 112.473 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.719 ' C ' ' HA ' ' A' ' 11' ' ' VAL . 0.1 OUTLIER -103.85 36.44 2.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.841 0.353 . . . . 73.52 110.869 -179.868 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.4 mt -129.18 109.0 10.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 64.14 110.902 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.413 ' H ' HG11 ' A' ' 11' ' ' VAL . 8.6 t80 -56.43 -18.92 12.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 74.23 110.907 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 27.0 mtt180 -42.18 -42.47 3.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 71.42 110.908 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 69.0 mtt-85 -113.37 -43.38 3.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 73.43 110.883 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.5 mmm180 -127.1 -104.66 0.33 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 74.41 110.879 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.589 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 4.9 t80 -141.31 149.86 41.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 75.51 110.9 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.719 ' HA ' ' C ' ' A' ' 4' ' ' ARG . 4.9 m -76.29 57.12 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 74.12 111.16 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.566 ' N ' ' HD1' ' A' ' 10' ' ' PHE . 3.8 m -73.66 -108.94 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 74.25 111.168 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.564 ' H ' ' CG2' ' A' ' 12' ' ' VAL . . . -121.92 -64.73 0.23 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.727 -0.749 . . . . 74.12 112.5 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-O 120.764 0.316 . . . . 74.41 110.897 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.442 -0.263 . . . . 40.51 112.442 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -62.55 -18.27 58.54 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.769 -0.729 . . . . 60.31 112.502 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.734 ' C ' ' HA ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -103.78 36.39 2.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.857 0.36 . . . . 74.45 110.899 -179.882 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 12.1 mt -129.16 109.03 10.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 73.04 110.888 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.407 ' H ' HG11 ' A' ' 11' ' ' VAL . 9.2 t80 -56.41 -18.94 12.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 74.41 110.951 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.19 -42.43 3.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.104 -0.498 . . . . 75.22 110.865 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 11.7 ptp180 -113.38 -43.44 3.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 63.53 110.886 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -127.07 -104.6 0.33 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 74.45 110.888 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.597 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 4.9 t80 -141.39 149.92 41.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 72.53 110.868 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.734 ' HA ' ' C ' ' A' ' 4' ' ' ARG . 4.9 m -76.33 57.18 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 74.24 111.169 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.555 ' CG2' ' H ' ' A' ' 13' ' ' GLY . 3.7 m -73.65 -108.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.141 -0.481 . . . . 73.13 111.173 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.555 ' H ' ' CG2' ' A' ' 12' ' ' VAL . . . -121.9 -64.77 0.23 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.738 -0.744 . . . . 61.3 112.474 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-O 120.845 0.355 . . . . 75.13 110.894 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.5 -0.24 . . . . 65.25 112.5 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -66.99 -18.43 68.82 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.692 -0.766 . . . . 64.23 112.488 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.728 ' C ' ' HA ' ' A' ' 11' ' ' VAL . 0.4 OUTLIER -103.69 36.54 2.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.884 0.373 . . . . 74.14 110.884 -179.888 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.5 mp -129.24 109.3 11.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 74.14 110.909 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.421 ' H ' HG11 ' A' ' 11' ' ' VAL . 5.6 t80 -56.93 -18.59 13.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 71.33 110.931 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -42.39 -42.59 3.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 74.33 110.861 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 30.0 mtt180 -113.38 -43.18 3.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 72.4 110.911 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -127.11 -104.68 0.33 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 75.15 110.888 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.594 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 4.9 t80 -141.37 149.76 41.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 71.52 110.852 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.728 ' HA ' ' C ' ' A' ' 4' ' ' ARG . 4.4 m -76.32 57.22 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 65.13 111.143 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.567 ' N ' ' HD1' ' A' ' 10' ' ' PHE . 3.7 m -73.64 -108.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 62.11 111.124 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.559 ' H ' ' CG2' ' A' ' 12' ' ' VAL . . . -121.89 -64.88 0.23 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.773 -0.727 . . . . 54.34 112.464 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.275 0 CA-C-O 120.807 0.336 . . . . 73.0 110.858 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.451 -0.26 . . . . 72.5 112.451 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -64.9 -18.41 64.3 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.786 -0.721 . . . . 71.25 112.432 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.725 ' C ' ' HA ' ' A' ' 11' ' ' VAL . 0.4 OUTLIER -103.3 36.32 2.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.892 0.377 . . . . 73.54 110.89 -179.863 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -129.09 109.82 11.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 71.4 110.917 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.418 ' H ' HG11 ' A' ' 11' ' ' VAL . 8.4 t80 -57.39 -18.19 16.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 73.54 110.934 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -42.59 -42.77 3.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 74.4 110.814 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.1 ptp180 -113.29 -43.09 3.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 75.34 110.857 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -127.11 -104.84 0.33 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 74.41 110.834 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.59 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 4.9 t80 -141.38 149.9 41.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 72.23 110.871 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.725 ' HA ' ' C ' ' A' ' 4' ' ' ARG . 4.9 m -76.21 57.26 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 73.31 111.128 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.571 ' CG2' ' H ' ' A' ' 13' ' ' GLY . 3.7 m -73.71 -108.98 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 75.02 111.066 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.571 ' H ' ' CG2' ' A' ' 12' ' ' VAL . . . -121.93 -64.83 0.23 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.724 -0.75 . . . . 60.41 112.493 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-O 120.829 0.347 . . . . 75.33 110.869 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.437 -0.265 . . . . 74.14 112.437 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -95.47 -4.59 60.75 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.744 -0.741 . . . . 51.4 112.462 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.731 ' C ' ' HA ' ' A' ' 11' ' ' VAL . 1.6 ptm180 -106.97 36.25 2.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.855 0.36 . . . . 71.54 110.857 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.1 pp -129.66 109.53 11.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 73.43 110.916 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.405 ' H ' HG11 ' A' ' 11' ' ' VAL . 6.2 t80 -56.5 -18.85 12.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 75.13 110.949 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.41 -42.7 3.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 74.21 110.889 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.9 mtp180 -113.24 -43.59 3.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 75.14 110.867 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 28.3 mmt180 -126.94 -104.61 0.33 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 73.13 110.88 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.601 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 5.5 t80 -141.84 149.95 40.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.458 . . . . 74.01 110.844 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.731 ' HA ' ' C ' ' A' ' 4' ' ' ARG . 5.7 m -76.4 56.8 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 74.54 111.134 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.561 ' CG2' ' H ' ' A' ' 13' ' ' GLY . 7.7 m -75.74 -114.39 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 75.43 111.117 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.561 ' H ' ' CG2' ' A' ' 12' ' ' VAL . . . -122.2 -54.26 0.21 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.731 -0.747 . . . . 64.34 112.504 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-O 120.786 0.327 . . . . 75.52 110.818 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.472 -0.251 . . . . 74.52 112.472 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -72.39 -8.28 70.45 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.698 -0.763 . . . . 50.24 112.514 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.73 ' C ' ' HA ' ' A' ' 11' ' ' VAL . 0.3 OUTLIER -104.73 36.01 2.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.863 0.363 . . . . 74.51 110.879 -179.845 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 14.0 mt -129.35 109.45 11.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 74.52 110.892 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -56.73 -18.5 12.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 74.11 110.912 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 5.7 mtt-85 -42.19 -42.66 3.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.483 . . . . 75.13 110.903 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 25.7 mtt180 -113.23 -43.45 3.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 74.43 110.894 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 40.2 mtp180 -127.02 -104.57 0.33 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 72.51 110.844 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.593 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 5.2 t80 -141.4 150.1 41.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 74.14 110.853 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.73 ' HA ' ' C ' ' A' ' 4' ' ' ARG . 5.2 m -76.2 57.0 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 75.25 111.117 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.553 ' CG2' ' H ' ' A' ' 13' ' ' GLY . 7.2 m -75.56 -114.33 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 73.24 111.147 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.553 ' H ' ' CG2' ' A' ' 12' ' ' VAL . . . -122.86 -51.95 0.21 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.709 -0.758 . . . . 51.43 112.462 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-O 120.797 0.332 . . . . 65.12 110.877 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.528 -0.229 . . . . 74.35 112.528 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -101.88 1.46 51.92 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.713 -0.755 . . . . 62.11 112.499 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.702 ' C ' ' HA ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -107.78 35.43 3.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.88 0.371 . . . . 72.31 110.937 -179.934 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -129.53 110.16 11.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 70.02 110.922 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.412 ' H ' HG11 ' A' ' 11' ' ' VAL . 9.8 t80 -57.34 -18.0 15.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 74.5 110.862 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.74 -43.62 4.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 75.51 110.874 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 16.4 ptp180 -113.19 -42.44 3.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 74.1 110.856 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.3 mmm-85 -126.9 -105.6 0.32 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 75.42 110.915 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.591 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 5.6 t80 -142.08 149.81 40.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 72.45 110.836 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.702 ' HA ' ' C ' ' A' ' 4' ' ' ARG . 6.6 m -76.53 56.76 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.106 -0.497 . . . . 74.22 111.12 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.566 ' CG2' ' H ' ' A' ' 13' ' ' GLY . 11.4 m -75.35 -116.14 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 72.35 111.109 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.566 ' H ' ' CG2' ' A' ' 12' ' ' VAL . . . -122.37 -50.9 0.23 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.7 -0.762 . . . . 75.2 112.465 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 CA-C-O 120.772 0.32 . . . . 75.43 110.832 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.519 -0.232 . . . . 50.51 112.519 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -99.34 28.26 16.22 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.786 -0.721 . . . . 72.12 112.493 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.53 ' CA ' ' HA ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -119.68 39.28 3.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.849 0.356 . . . . 73.01 110.884 -179.879 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -120.9 109.86 15.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 75.21 110.881 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -44.33 -31.58 1.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 72.34 110.914 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.4 -52.54 21.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 75.23 110.864 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 15.8 mtm180 -113.19 -54.79 2.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 75.04 110.857 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.449 ' O ' ' C ' ' A' ' 10' ' ' PHE . 36.9 mmm-85 -125.49 115.72 20.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 74.03 110.856 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.569 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 0.4 OUTLIER -34.5 148.23 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 71.14 110.913 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.569 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 2.6 p -63.51 61.89 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 72.41 111.141 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.552 ' CG2' ' H ' ' A' ' 13' ' ' GLY . 2.9 m -61.54 -106.21 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 75.3 111.096 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.552 ' H ' ' CG2' ' A' ' 12' ' ' VAL . . . -127.84 -68.81 0.14 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.688 -0.768 . . . . 43.41 112.495 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-O 120.787 0.327 . . . . 74.44 110.857 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.495 -0.242 . . . . 73.22 112.495 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -97.72 27.32 19.45 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.708 -0.758 . . . . 64.24 112.527 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.533 ' CA ' ' HA ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -119.52 39.46 3.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.822 0.344 . . . . 75.43 110.882 -179.878 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.4 mt -120.83 108.78 14.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 74.51 110.924 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -43.47 -32.52 0.9 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 74.24 110.905 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 26.7 mtp85 -47.98 -52.08 21.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.105 -0.498 . . . . 75.02 110.892 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 22.9 mtm180 -113.26 -55.03 2.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 74.5 110.881 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.446 ' O ' ' C ' ' A' ' 10' ' ' PHE . 0.3 OUTLIER -125.4 115.86 20.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 73.44 110.878 -179.931 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.575 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 0.4 OUTLIER -34.39 148.2 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 63.44 110.891 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.575 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 2.6 p -63.64 61.83 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 75.41 111.113 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.55 ' CG2' ' H ' ' A' ' 13' ' ' GLY . 2.9 m -61.42 -106.26 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 73.32 111.133 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.55 ' H ' ' CG2' ' A' ' 12' ' ' VAL . . . -127.75 -68.87 0.15 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.733 -0.746 . . . . 70.21 112.491 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-O 120.812 0.339 . . . . 74.23 110.905 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.494 -0.243 . . . . 61.43 112.494 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -70.22 -17.77 74.34 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.711 -0.757 . . . . 72.35 112.469 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.72 ' C ' ' HA ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -102.96 35.61 2.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.837 0.351 . . . . 75.31 110.844 -179.823 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.1 mp -129.53 108.84 10.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.452 . . . . 75.31 110.882 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.423 ' H ' HG11 ' A' ' 11' ' ' VAL . 5.1 t80 -54.19 -20.59 7.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 74.3 110.93 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -42.15 -39.09 1.9 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 73.43 110.89 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 11.6 mmt180 -112.92 -48.5 2.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 72.32 110.886 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.52 -99.4 0.39 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 75.4 110.877 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.604 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 4.9 t80 -143.1 150.64 39.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 74.22 110.868 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.72 ' HA ' ' C ' ' A' ' 4' ' ' ARG . 4.4 m -76.17 57.13 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 74.43 111.116 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.576 ' CG2' ' H ' ' A' ' 13' ' ' GLY . 3.8 m -73.43 -109.17 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 72.04 111.142 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.576 ' H ' ' CG2' ' A' ' 12' ' ' VAL . . . -121.82 -65.1 0.23 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.767 -0.73 . . . . 63.52 112.523 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-O 120.759 0.314 . . . . 75.53 110.901 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.474 -0.25 . . . . 63.0 112.474 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -62.35 -18.25 57.93 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.705 -0.759 . . . . 74.53 112.477 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.731 ' C ' ' HA ' ' A' ' 11' ' ' VAL . 0.2 OUTLIER -103.68 35.96 2.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.867 0.365 . . . . 74.45 110.868 -179.878 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 13.9 mt -129.54 108.0 9.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.465 . . . . 71.33 110.886 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.409 ' H ' HG11 ' A' ' 11' ' ' VAL . 3.4 t80 -53.69 -21.07 6.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.167 -0.47 . . . . 74.44 110.902 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 21.1 mtt180 -42.09 -39.03 1.83 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 73.35 110.854 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.5 mtm180 -113.0 -48.4 2.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 75.25 110.891 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.64 -99.52 0.38 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 74.35 110.858 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.6 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 5.0 t80 -143.07 150.22 39.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 70.1 110.883 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.731 ' HA ' ' C ' ' A' ' 4' ' ' ARG . 4.1 m -76.21 57.02 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 71.3 111.154 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.561 ' N ' ' HD1' ' A' ' 10' ' ' PHE . 3.7 m -73.43 -109.09 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 72.43 111.121 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.553 ' H ' ' CG2' ' A' ' 12' ' ' VAL . . . -121.77 -64.91 0.23 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.752 -0.737 . . . . 71.44 112.502 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-O 120.831 0.348 . . . . 75.24 110.886 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 N-CA-C 112.469 -0.252 . . . . 72.54 112.469 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -61.33 -18.66 56.05 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.745 -0.741 . . . . 70.33 112.486 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.732 ' C ' ' HA ' ' A' ' 11' ' ' VAL . 0.2 OUTLIER -102.99 35.82 2.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.798 0.332 . . . . 71.44 110.857 -179.861 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 18.7 mt -129.44 108.74 10.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 75.4 110.88 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.411 ' H ' HG11 ' A' ' 11' ' ' VAL . 5.7 t80 -55.14 -19.7 8.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 71.43 110.937 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.28 -39.72 2.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.105 -0.498 . . . . 75.34 110.904 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.95 -45.95 3.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 75.21 110.873 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -127.16 -101.28 0.36 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 75.23 110.871 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.598 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 4.9 t80 -142.6 150.37 40.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 63.23 110.872 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.732 ' HA ' ' C ' ' A' ' 4' ' ' ARG . 4.6 m -76.27 57.11 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 74.33 111.117 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.57 ' CG2' ' H ' ' A' ' 13' ' ' GLY . 3.8 m -73.46 -109.12 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 65.23 111.132 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.57 ' H ' ' CG2' ' A' ' 12' ' ' VAL . . . -121.87 -65.01 0.23 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.704 -0.76 . . . . 43.23 112.491 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-O 120.81 0.338 . . . . 63.33 110.832 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.257 0 N-CA-C 112.474 -0.25 . . . . 73.21 112.474 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -99.25 28.2 16.48 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.73 -0.748 . . . . 70.54 112.457 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.528 ' CA ' ' HA ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -119.57 39.79 3.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.86 0.362 . . . . 72.33 110.888 -179.896 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.0 mt -120.84 110.28 16.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 74.41 110.9 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.413 ' HA ' ' HA ' ' A' ' 10' ' ' PHE . 0.3 OUTLIER -45.26 -30.3 1.2 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 72.3 110.92 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -49.12 -53.38 21.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.102 -0.499 . . . . 73.13 110.891 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.5 mmm180 -113.16 -53.36 2.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 73.05 110.883 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.45 ' O ' ' C ' ' A' ' 10' ' ' PHE . 3.9 mtt85 -125.71 114.81 19.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 73.33 110.849 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.572 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 0.4 OUTLIER -34.44 148.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 73.43 110.866 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.572 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 2.6 p -63.57 62.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.098 -0.501 . . . . 73.44 111.137 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.558 ' CG2' ' H ' ' A' ' 13' ' ' GLY . 3.0 m -61.56 -106.32 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 63.22 111.119 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.558 ' H ' ' CG2' ' A' ' 12' ' ' VAL . . . -127.72 -68.74 0.15 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.73 -0.748 . . . . 72.23 112.526 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 120.798 0.332 . . . . 75.1 110.875 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.528 -0.229 . . . . 62.55 112.528 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -97.04 23.89 33.7 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.752 -0.737 . . . . 54.24 112.488 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.518 ' CA ' ' HA ' ' A' ' 11' ' ' VAL . 0.7 OUTLIER -113.73 38.77 2.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.849 0.357 . . . . 74.51 110.868 -179.873 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -120.65 109.52 15.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 73.54 110.896 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.422 ' HA ' ' HA ' ' A' ' 10' ' ' PHE . 0.3 OUTLIER -45.45 -30.32 1.35 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 73.55 110.965 179.939 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.4 mtt180 -48.76 -53.46 18.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.081 -0.509 . . . . 75.03 110.887 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 36.8 mtm180 -113.17 -52.65 2.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 73.41 110.907 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.446 ' O ' ' C ' ' A' ' 10' ' ' PHE . 54.4 mtt180 -126.06 114.89 19.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.48 . . . . 74.21 110.866 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.568 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 0.3 OUTLIER -34.28 148.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 74.21 110.913 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.568 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 2.6 p -62.59 62.35 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 72.44 111.136 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.552 ' CG2' ' H ' ' A' ' 13' ' ' GLY . 3.1 m -62.76 -107.12 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 73.2 111.112 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.552 ' H ' ' CG2' ' A' ' 12' ' ' VAL . . . -128.14 -68.7 0.14 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.764 -0.732 . . . . 73.34 112.457 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-O 120.837 0.351 . . . . 75.12 110.914 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.472 -0.251 . . . . 51.51 112.472 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.18 -25.0 46.23 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.695 -0.764 . . . . 75.55 112.474 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.688 ' C ' ' HA ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -93.2 35.82 1.07 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.859 0.362 . . . . 75.51 110.902 -179.896 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 39.2 mt -126.29 107.15 10.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 74.5 110.924 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.405 ' O ' ' C ' ' A' ' 7' ' ' ARG . 28.6 t80 -52.85 -18.2 1.78 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 74.4 110.941 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 6' ' ' TYR . 12.8 mtm180 -38.09 -42.33 0.65 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 74.41 110.885 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 14.0 mtt180 -112.3 -45.33 3.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 72.34 110.886 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -126.63 -105.18 0.33 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 75.32 110.861 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.614 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 1.6 t80 -139.03 147.33 41.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 75.13 110.911 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.688 ' HA ' ' C ' ' A' ' 4' ' ' ARG . 14.8 m -68.54 57.17 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.484 . . . . 70.55 111.154 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.523 ' CG2' ' H ' ' A' ' 13' ' ' GLY . 2.1 m -56.55 -104.72 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 72.44 111.155 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.523 ' H ' ' CG2' ' A' ' 12' ' ' VAL . . . -127.0 -61.39 0.14 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.732 -0.747 . . . . 74.05 112.495 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-O 120.818 0.342 . . . . 74.34 110.871 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.471 -0.252 . . . . 73.04 112.471 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -83.2 3.66 83.76 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.746 -0.74 . . . . 71.23 112.512 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.476 ' CA ' ' HA ' ' A' ' 11' ' ' VAL . 0.4 OUTLIER -115.69 40.12 2.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.907 0.384 . . . . 75.12 110.916 -179.883 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.2 mt -120.91 91.77 3.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 75.1 110.94 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -49.0 -25.19 1.83 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 73.55 110.937 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 25.7 mtt180 -45.62 -45.76 14.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 74.02 110.815 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 40.0 mtm180 -111.97 -37.82 4.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 74.3 110.839 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 71.5 mtp85 -125.83 -113.65 0.29 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 64.02 110.867 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.615 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 4.6 t80 -144.08 149.84 37.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 73.42 110.907 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.615 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 10.9 p -77.19 56.73 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 74.43 111.112 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.552 ' CG2' ' H ' ' A' ' 13' ' ' GLY . 14.6 m -76.36 -117.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 75.35 111.083 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.552 ' H ' ' CG2' ' A' ' 12' ' ' VAL . . . -121.26 -47.22 0.31 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.767 -0.73 . . . . 73.35 112.484 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 120.794 0.331 . . . . 74.01 110.885 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.826 0.346 . . . . 64.41 110.889 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -94.07 21.61 41.05 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.757 -0.735 . . . . 55.24 112.478 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -62.82 -18.4 59.49 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.79 -0.719 . . . . 71.23 112.51 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.715 ' C ' ' HA ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -103.43 36.24 2.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.811 0.339 . . . . 73.13 110.828 -179.835 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 12.3 mt -129.17 109.23 10.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 73.03 110.892 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.413 ' H ' HG11 ' A' ' 11' ' ' VAL . 9.2 t80 -56.42 -18.81 12.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 74.21 110.903 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 19.9 mtt85 -42.11 -42.4 2.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 74.51 110.895 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 15.8 mmt180 -113.32 -43.61 3.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 75.35 110.84 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 55.7 mtp180 -127.06 -104.48 0.33 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 74.03 110.899 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.596 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 4.9 t80 -141.35 150.05 41.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 72.12 110.887 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.715 ' HA ' ' C ' ' A' ' 4' ' ' ARG . 5.0 m -76.19 57.22 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 72.44 111.119 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.562 ' CG2' ' H ' ' A' ' 13' ' ' GLY . 3.7 m -73.63 -108.93 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 61.43 111.145 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.562 ' H ' ' CG2' ' A' ' 12' ' ' VAL . . . -121.96 -64.91 0.23 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.724 -0.75 . . . . 63.13 112.438 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 120.81 0.338 . . . . 75.14 110.882 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.801 0.334 . . . . 75.21 110.88 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -96.67 21.36 46.27 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.711 -0.757 . . . . 74.22 112.482 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -60.68 -18.69 53.12 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.76 -0.733 . . . . 64.24 112.507 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.723 ' C ' ' HA ' ' A' ' 11' ' ' VAL . 0.1 OUTLIER -102.94 36.07 2.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.844 0.354 . . . . 73.14 110.862 -179.829 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -129.06 110.09 11.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 74.21 110.923 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.408 ' H ' HG11 ' A' ' 11' ' ' VAL . 9.2 t80 -57.22 -18.31 15.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 74.1 110.931 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.36 -42.72 3.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 72.54 110.873 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -113.28 -43.28 3.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 74.33 110.856 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 84.6 mtt180 -127.02 -104.74 0.33 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 73.12 110.858 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.594 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 4.8 t80 -141.3 150.19 42.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 75.4 110.874 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.723 ' HA ' ' C ' ' A' ' 4' ' ' ARG . 5.2 m -76.16 57.25 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 75.41 111.153 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.563 ' N ' ' HD1' ' A' ' 10' ' ' PHE . 3.7 m -73.6 -108.96 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.48 . . . . 73.12 111.162 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.544 ' H ' ' CG2' ' A' ' 12' ' ' VAL . . . -121.94 -64.94 0.23 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.756 -0.735 . . . . 72.14 112.521 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 120.842 0.354 . . . . 75.25 110.912 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 20.1 mtm180 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.824 0.345 . . . . 74.32 110.873 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -104.65 18.34 44.28 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.794 -0.717 . . . . 70.54 112.458 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -64.52 -16.74 61.26 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.772 -0.728 . . . . 70.42 112.483 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.734 ' C ' ' HA ' ' A' ' 11' ' ' VAL . 0.3 OUTLIER -103.52 36.25 2.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.869 0.366 . . . . 74.1 110.832 -179.816 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 12.9 mt -129.21 109.26 11.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 72.02 110.928 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.405 ' H ' HG11 ' A' ' 11' ' ' VAL . 6.8 t80 -56.43 -18.76 12.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 74.34 110.939 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 8.8 mmt180 -42.13 -42.5 2.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.488 . . . . 75.12 110.841 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 11.5 ptm180 -113.35 -43.51 3.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 72.12 110.838 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 30.1 mmt-85 -127.12 -104.57 0.33 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 72.31 110.853 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.589 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 4.9 t80 -141.3 150.05 42.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 72.01 110.873 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.734 ' HA ' ' C ' ' A' ' 4' ' ' ARG . 5.0 m -76.18 57.23 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 74.31 111.128 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.564 ' CG2' ' H ' ' A' ' 13' ' ' GLY . 3.8 m -73.73 -109.06 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 75.43 111.131 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.564 ' H ' ' CG2' ' A' ' 12' ' ' VAL . . . -121.96 -64.9 0.23 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.765 -0.731 . . . . 75.42 112.49 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 120.837 0.351 . . . . 72.22 110.831 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.9 mmt85 . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.881 0.372 . . . . 74.0 110.883 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -93.47 19.77 50.6 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.761 -0.733 . . . . 43.34 112.48 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -62.91 -18.15 59.41 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.791 -0.718 . . . . 74.04 112.489 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.731 ' C ' ' HA ' ' A' ' 11' ' ' VAL . 0.7 OUTLIER -103.44 36.23 2.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.913 0.387 . . . . 73.12 110.914 -179.859 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 13.2 mt -129.17 109.21 10.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 74.45 110.908 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.41 ' H ' HG11 ' A' ' 11' ' ' VAL . 7.9 t80 -56.34 -18.91 12.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 75.31 110.917 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.08 -42.42 2.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.101 -0.5 . . . . 73.44 110.839 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 19.8 mtt-85 -113.3 -43.63 3.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 75.12 110.855 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.8 mtt180 -127.11 -104.47 0.33 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 72.2 110.844 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.594 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 4.8 t80 -141.33 150.11 42.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 73.41 110.911 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.731 ' HA ' ' C ' ' A' ' 4' ' ' ARG . 5.0 m -76.24 57.19 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 75.33 111.134 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.559 ' N ' ' HD1' ' A' ' 10' ' ' PHE . 3.8 m -73.65 -109.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 73.32 111.141 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.553 ' H ' ' CG2' ' A' ' 12' ' ' VAL . . . -121.91 -64.87 0.23 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.71 -0.757 . . . . 23.41 112.481 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-O 120.796 0.331 . . . . 75.04 110.899 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.811 0.339 . . . . 73.15 110.878 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -93.26 18.79 55.52 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.773 -0.727 . . . . 65.44 112.498 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -62.77 -17.9 58.62 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.741 -0.742 . . . . 75.4 112.473 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.719 ' C ' ' HA ' ' A' ' 11' ' ' VAL . 0.1 OUTLIER -103.85 36.44 2.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.841 0.353 . . . . 73.52 110.869 -179.868 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.4 mt -129.18 109.0 10.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 64.14 110.902 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.413 ' H ' HG11 ' A' ' 11' ' ' VAL . 8.6 t80 -56.43 -18.92 12.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 74.23 110.907 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 27.0 mtt180 -42.18 -42.47 3.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 71.42 110.908 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 69.0 mtt-85 -113.37 -43.38 3.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 73.43 110.883 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.5 mmm180 -127.1 -104.66 0.33 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 74.41 110.879 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.589 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 4.9 t80 -141.31 149.86 41.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 75.51 110.9 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.719 ' HA ' ' C ' ' A' ' 4' ' ' ARG . 4.9 m -76.29 57.12 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 74.12 111.16 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.566 ' N ' ' HD1' ' A' ' 10' ' ' PHE . 3.8 m -73.66 -108.94 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 74.25 111.168 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.564 ' H ' ' CG2' ' A' ' 12' ' ' VAL . . . -121.92 -64.73 0.23 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.727 -0.749 . . . . 74.12 112.5 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-O 120.764 0.316 . . . . 74.41 110.897 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 78.4 mtt180 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.867 0.365 . . . . 75.13 110.907 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -105.29 22.63 32.38 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.779 -0.724 . . . . 40.51 112.442 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -62.55 -18.27 58.54 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.769 -0.729 . . . . 60.31 112.502 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.734 ' C ' ' HA ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -103.78 36.39 2.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.857 0.36 . . . . 74.45 110.899 -179.882 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 12.1 mt -129.16 109.03 10.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 73.04 110.888 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.407 ' H ' HG11 ' A' ' 11' ' ' VAL . 9.2 t80 -56.41 -18.94 12.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 74.41 110.951 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.19 -42.43 3.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.104 -0.498 . . . . 75.22 110.865 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 11.7 ptp180 -113.38 -43.44 3.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 63.53 110.886 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -127.07 -104.6 0.33 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 74.45 110.888 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.597 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 4.9 t80 -141.39 149.92 41.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 72.53 110.868 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.734 ' HA ' ' C ' ' A' ' 4' ' ' ARG . 4.9 m -76.33 57.18 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 74.24 111.169 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.555 ' CG2' ' H ' ' A' ' 13' ' ' GLY . 3.7 m -73.65 -108.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.141 -0.481 . . . . 73.13 111.173 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.555 ' H ' ' CG2' ' A' ' 12' ' ' VAL . . . -121.9 -64.77 0.23 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.738 -0.744 . . . . 61.3 112.474 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-O 120.845 0.355 . . . . 75.13 110.894 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 6.4 mmt-85 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.865 0.364 . . . . 75.22 110.884 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -110.93 33.72 5.73 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.747 -0.74 . . . . 65.25 112.5 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -66.99 -18.43 68.82 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.692 -0.766 . . . . 64.23 112.488 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.728 ' C ' ' HA ' ' A' ' 11' ' ' VAL . 0.4 OUTLIER -103.69 36.54 2.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.884 0.373 . . . . 74.14 110.884 -179.888 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.5 mp -129.24 109.3 11.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 74.14 110.909 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.421 ' H ' HG11 ' A' ' 11' ' ' VAL . 5.6 t80 -56.93 -18.59 13.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 71.33 110.931 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -42.39 -42.59 3.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 74.33 110.861 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 30.0 mtt180 -113.38 -43.18 3.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 72.4 110.911 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -127.11 -104.68 0.33 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 75.15 110.888 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.594 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 4.9 t80 -141.37 149.76 41.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 71.52 110.852 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.728 ' HA ' ' C ' ' A' ' 4' ' ' ARG . 4.4 m -76.32 57.22 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 65.13 111.143 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.567 ' N ' ' HD1' ' A' ' 10' ' ' PHE . 3.7 m -73.64 -108.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 62.11 111.124 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.559 ' H ' ' CG2' ' A' ' 12' ' ' VAL . . . -121.89 -64.88 0.23 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.773 -0.727 . . . . 54.34 112.464 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.275 0 CA-C-O 120.807 0.336 . . . . 73.0 110.858 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 5.4 mmt180 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.842 0.353 . . . . 73.32 110.867 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -101.83 25.88 26.36 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.707 -0.759 . . . . 72.5 112.451 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -64.9 -18.41 64.3 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.786 -0.721 . . . . 71.25 112.432 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.725 ' C ' ' HA ' ' A' ' 11' ' ' VAL . 0.4 OUTLIER -103.3 36.32 2.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.892 0.377 . . . . 73.54 110.89 -179.863 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -129.09 109.82 11.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 71.4 110.917 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.418 ' H ' HG11 ' A' ' 11' ' ' VAL . 8.4 t80 -57.39 -18.19 16.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 73.54 110.934 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -42.59 -42.77 3.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 74.4 110.814 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.1 ptp180 -113.29 -43.09 3.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 75.34 110.857 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -127.11 -104.84 0.33 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 74.41 110.834 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.59 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 4.9 t80 -141.38 149.9 41.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 72.23 110.871 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.725 ' HA ' ' C ' ' A' ' 4' ' ' ARG . 4.9 m -76.21 57.26 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 73.31 111.128 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.571 ' CG2' ' H ' ' A' ' 13' ' ' GLY . 3.7 m -73.71 -108.98 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 75.02 111.066 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.571 ' H ' ' CG2' ' A' ' 12' ' ' VAL . . . -121.93 -64.83 0.23 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.724 -0.75 . . . . 60.41 112.493 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-O 120.829 0.347 . . . . 75.33 110.869 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.886 0.374 . . . . 71.24 110.886 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -120.17 40.04 2.3 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.746 -0.74 . . . . 74.14 112.437 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -95.47 -4.59 60.75 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.744 -0.741 . . . . 51.4 112.462 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.731 ' C ' ' HA ' ' A' ' 11' ' ' VAL . 1.6 ptm180 -106.97 36.25 2.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.855 0.36 . . . . 71.54 110.857 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.1 pp -129.66 109.53 11.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 73.43 110.916 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.405 ' H ' HG11 ' A' ' 11' ' ' VAL . 6.2 t80 -56.5 -18.85 12.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 75.13 110.949 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.41 -42.7 3.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 74.21 110.889 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.9 mtp180 -113.24 -43.59 3.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 75.14 110.867 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 28.3 mmt180 -126.94 -104.61 0.33 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 73.13 110.88 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.601 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 5.5 t80 -141.84 149.95 40.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.458 . . . . 74.01 110.844 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.731 ' HA ' ' C ' ' A' ' 4' ' ' ARG . 5.7 m -76.4 56.8 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 74.54 111.134 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.561 ' CG2' ' H ' ' A' ' 13' ' ' GLY . 7.7 m -75.74 -114.39 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 75.43 111.117 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.561 ' H ' ' CG2' ' A' ' 12' ' ' VAL . . . -122.2 -54.26 0.21 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.731 -0.747 . . . . 64.34 112.504 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-O 120.786 0.327 . . . . 75.52 110.818 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 9.0 mtt180 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.867 0.365 . . . . 74.34 110.887 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -111.26 29.4 8.78 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.752 -0.737 . . . . 74.52 112.472 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -72.39 -8.28 70.45 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.698 -0.763 . . . . 50.24 112.514 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.73 ' C ' ' HA ' ' A' ' 11' ' ' VAL . 0.3 OUTLIER -104.73 36.01 2.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.863 0.363 . . . . 74.51 110.879 -179.845 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 14.0 mt -129.35 109.45 11.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 74.52 110.892 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -56.73 -18.5 12.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 74.11 110.912 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 5.7 mtt-85 -42.19 -42.66 3.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.483 . . . . 75.13 110.903 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 25.7 mtt180 -113.23 -43.45 3.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 74.43 110.894 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 40.2 mtp180 -127.02 -104.57 0.33 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 72.51 110.844 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.593 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 5.2 t80 -141.4 150.1 41.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 74.14 110.853 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.73 ' HA ' ' C ' ' A' ' 4' ' ' ARG . 5.2 m -76.2 57.0 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 75.25 111.117 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.553 ' CG2' ' H ' ' A' ' 13' ' ' GLY . 7.2 m -75.56 -114.33 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 73.24 111.147 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.553 ' H ' ' CG2' ' A' ' 12' ' ' VAL . . . -122.86 -51.95 0.21 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.709 -0.758 . . . . 51.43 112.462 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-O 120.797 0.332 . . . . 65.12 110.877 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 5.5 mmt180 . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 120.827 0.346 . . . . 73.02 110.853 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -120.13 40.12 2.28 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.711 -0.756 . . . . 74.35 112.528 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -101.88 1.46 51.92 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.713 -0.755 . . . . 62.11 112.499 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.702 ' C ' ' HA ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -107.78 35.43 3.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.88 0.371 . . . . 72.31 110.937 -179.934 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -129.53 110.16 11.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 70.02 110.922 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.412 ' H ' HG11 ' A' ' 11' ' ' VAL . 9.8 t80 -57.34 -18.0 15.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 74.5 110.862 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.74 -43.62 4.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 75.51 110.874 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 16.4 ptp180 -113.19 -42.44 3.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 74.1 110.856 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.3 mmm-85 -126.9 -105.6 0.32 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 75.42 110.915 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.591 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 5.6 t80 -142.08 149.81 40.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 72.45 110.836 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.702 ' HA ' ' C ' ' A' ' 4' ' ' ARG . 6.6 m -76.53 56.76 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.106 -0.497 . . . . 74.22 111.12 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.566 ' CG2' ' H ' ' A' ' 13' ' ' GLY . 11.4 m -75.35 -116.14 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 72.35 111.109 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.566 ' H ' ' CG2' ' A' ' 12' ' ' VAL . . . -122.37 -50.9 0.23 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.7 -0.762 . . . . 75.2 112.465 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 CA-C-O 120.772 0.32 . . . . 75.43 110.832 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.893 0.377 . . . . 73.43 110.881 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -118.93 38.97 2.68 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.785 -0.722 . . . . 50.51 112.519 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -99.34 28.26 16.22 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.786 -0.721 . . . . 72.12 112.493 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.53 ' CA ' ' HA ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -119.68 39.28 3.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.849 0.356 . . . . 73.01 110.884 -179.879 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -120.9 109.86 15.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 75.21 110.881 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -44.33 -31.58 1.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 72.34 110.914 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.4 -52.54 21.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 75.23 110.864 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 15.8 mtm180 -113.19 -54.79 2.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 75.04 110.857 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.449 ' O ' ' C ' ' A' ' 10' ' ' PHE . 36.9 mmm-85 -125.49 115.72 20.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 74.03 110.856 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.569 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 0.4 OUTLIER -34.5 148.23 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 71.14 110.913 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.569 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 2.6 p -63.51 61.89 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 72.41 111.141 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.552 ' CG2' ' H ' ' A' ' 13' ' ' GLY . 2.9 m -61.54 -106.21 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 75.3 111.096 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.552 ' H ' ' CG2' ' A' ' 12' ' ' VAL . . . -127.84 -68.81 0.14 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.688 -0.768 . . . . 43.41 112.495 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-O 120.787 0.327 . . . . 74.44 110.857 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.458 -0.067 0 CA-C-O 120.894 0.378 . . . . 72.41 110.914 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -119.92 39.48 2.46 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.758 -0.734 . . . . 73.22 112.495 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -97.72 27.32 19.45 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.708 -0.758 . . . . 64.24 112.527 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.533 ' CA ' ' HA ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -119.52 39.46 3.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.822 0.344 . . . . 75.43 110.882 -179.878 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.4 mt -120.83 108.78 14.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 74.51 110.924 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -43.47 -32.52 0.9 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 74.24 110.905 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 26.7 mtp85 -47.98 -52.08 21.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.105 -0.498 . . . . 75.02 110.892 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 22.9 mtm180 -113.26 -55.03 2.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 74.5 110.881 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.446 ' O ' ' C ' ' A' ' 10' ' ' PHE . 0.3 OUTLIER -125.4 115.86 20.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 73.44 110.878 -179.931 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.575 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 0.4 OUTLIER -34.39 148.2 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 63.44 110.891 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.575 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 2.6 p -63.64 61.83 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 75.41 111.113 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.55 ' CG2' ' H ' ' A' ' 13' ' ' GLY . 2.9 m -61.42 -106.26 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 73.32 111.133 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.55 ' H ' ' CG2' ' A' ' 12' ' ' VAL . . . -127.75 -68.87 0.15 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.733 -0.746 . . . . 70.21 112.491 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-O 120.812 0.339 . . . . 74.23 110.905 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.841 0.353 . . . . 74.03 110.955 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -112.67 35.42 4.62 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.747 -0.74 . . . . 61.43 112.494 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -70.22 -17.77 74.34 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.711 -0.757 . . . . 72.35 112.469 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.72 ' C ' ' HA ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -102.96 35.61 2.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.837 0.351 . . . . 75.31 110.844 -179.823 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.1 mp -129.53 108.84 10.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.452 . . . . 75.31 110.882 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.423 ' H ' HG11 ' A' ' 11' ' ' VAL . 5.1 t80 -54.19 -20.59 7.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 74.3 110.93 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -42.15 -39.09 1.9 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 73.43 110.89 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 11.6 mmt180 -112.92 -48.5 2.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 72.32 110.886 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.52 -99.4 0.39 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 75.4 110.877 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.604 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 4.9 t80 -143.1 150.64 39.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 74.22 110.868 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.72 ' HA ' ' C ' ' A' ' 4' ' ' ARG . 4.4 m -76.17 57.13 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 74.43 111.116 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.576 ' CG2' ' H ' ' A' ' 13' ' ' GLY . 3.8 m -73.43 -109.17 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 72.04 111.142 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.576 ' H ' ' CG2' ' A' ' 12' ' ' VAL . . . -121.82 -65.1 0.23 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.767 -0.73 . . . . 63.52 112.523 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-O 120.759 0.314 . . . . 75.53 110.901 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 5.1 ptt180 . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.872 0.368 . . . . 65.25 110.879 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -100.61 18.92 54.41 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.769 -0.729 . . . . 63.0 112.474 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -62.35 -18.25 57.93 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.705 -0.759 . . . . 74.53 112.477 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.731 ' C ' ' HA ' ' A' ' 11' ' ' VAL . 0.2 OUTLIER -103.68 35.96 2.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.867 0.365 . . . . 74.45 110.868 -179.878 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 13.9 mt -129.54 108.0 9.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.465 . . . . 71.33 110.886 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.409 ' H ' HG11 ' A' ' 11' ' ' VAL . 3.4 t80 -53.69 -21.07 6.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.167 -0.47 . . . . 74.44 110.902 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 21.1 mtt180 -42.09 -39.03 1.83 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 73.35 110.854 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.5 mtm180 -113.0 -48.4 2.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 75.25 110.891 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.64 -99.52 0.38 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 74.35 110.858 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.6 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 5.0 t80 -143.07 150.22 39.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 70.1 110.883 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.731 ' HA ' ' C ' ' A' ' 4' ' ' ARG . 4.1 m -76.21 57.02 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 71.3 111.154 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.561 ' N ' ' HD1' ' A' ' 10' ' ' PHE . 3.7 m -73.43 -109.09 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 72.43 111.121 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.553 ' H ' ' CG2' ' A' ' 12' ' ' VAL . . . -121.77 -64.91 0.23 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.752 -0.737 . . . . 71.44 112.502 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-O 120.831 0.348 . . . . 75.24 110.886 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 40.1 mtt180 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.811 0.339 . . . . 74.55 110.898 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -97.6 19.4 54.81 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.714 -0.755 . . . . 72.54 112.469 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -61.33 -18.66 56.05 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.745 -0.741 . . . . 70.33 112.486 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.732 ' C ' ' HA ' ' A' ' 11' ' ' VAL . 0.2 OUTLIER -102.99 35.82 2.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.798 0.332 . . . . 71.44 110.857 -179.861 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 18.7 mt -129.44 108.74 10.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 75.4 110.88 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.411 ' H ' HG11 ' A' ' 11' ' ' VAL . 5.7 t80 -55.14 -19.7 8.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 71.43 110.937 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.28 -39.72 2.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.105 -0.498 . . . . 75.34 110.904 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.95 -45.95 3.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 75.21 110.873 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -127.16 -101.28 0.36 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 75.23 110.871 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.598 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 4.9 t80 -142.6 150.37 40.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 63.23 110.872 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.732 ' HA ' ' C ' ' A' ' 4' ' ' ARG . 4.6 m -76.27 57.11 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 74.33 111.117 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.57 ' CG2' ' H ' ' A' ' 13' ' ' GLY . 3.8 m -73.46 -109.12 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 65.23 111.132 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.57 ' H ' ' CG2' ' A' ' 12' ' ' VAL . . . -121.87 -65.01 0.23 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.704 -0.76 . . . . 43.23 112.491 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-O 120.81 0.338 . . . . 63.33 110.832 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 3.1 mtt180 . . . . . 0 N--CA 1.458 -0.063 0 CA-C-O 120.848 0.356 . . . . 74.15 110.868 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -118.27 38.59 2.85 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.709 -0.758 . . . . 73.21 112.474 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -99.25 28.2 16.48 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.73 -0.748 . . . . 70.54 112.457 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.528 ' CA ' ' HA ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -119.57 39.79 3.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.86 0.362 . . . . 72.33 110.888 -179.896 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.0 mt -120.84 110.28 16.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 74.41 110.9 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.413 ' HA ' ' HA ' ' A' ' 10' ' ' PHE . 0.3 OUTLIER -45.26 -30.3 1.2 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 72.3 110.92 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -49.12 -53.38 21.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.102 -0.499 . . . . 73.13 110.891 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.5 mmm180 -113.16 -53.36 2.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 73.05 110.883 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.45 ' O ' ' C ' ' A' ' 10' ' ' PHE . 3.9 mtt85 -125.71 114.81 19.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 73.33 110.849 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.572 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 0.4 OUTLIER -34.44 148.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 73.43 110.866 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.572 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 2.6 p -63.57 62.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.098 -0.501 . . . . 73.44 111.137 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.558 ' CG2' ' H ' ' A' ' 13' ' ' GLY . 3.0 m -61.56 -106.32 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 63.22 111.119 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.558 ' H ' ' CG2' ' A' ' 12' ' ' VAL . . . -127.72 -68.74 0.15 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.73 -0.748 . . . . 72.23 112.526 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 120.798 0.332 . . . . 75.1 110.875 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.089 0 CA-C-O 120.839 0.352 . . . . 75.34 110.833 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -118.37 35.11 4.14 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.76 -0.733 . . . . 62.55 112.528 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -97.04 23.89 33.7 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.752 -0.737 . . . . 54.24 112.488 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.518 ' CA ' ' HA ' ' A' ' 11' ' ' VAL . 0.7 OUTLIER -113.73 38.77 2.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.849 0.357 . . . . 74.51 110.868 -179.873 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -120.65 109.52 15.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 73.54 110.896 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.422 ' HA ' ' HA ' ' A' ' 10' ' ' PHE . 0.3 OUTLIER -45.45 -30.32 1.35 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 73.55 110.965 179.939 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.4 mtt180 -48.76 -53.46 18.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.081 -0.509 . . . . 75.03 110.887 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 36.8 mtm180 -113.17 -52.65 2.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 73.41 110.907 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.446 ' O ' ' C ' ' A' ' 10' ' ' PHE . 54.4 mtt180 -126.06 114.89 19.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.48 . . . . 74.21 110.866 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.568 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 0.3 OUTLIER -34.28 148.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 74.21 110.913 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.568 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 2.6 p -62.59 62.35 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 72.44 111.136 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.552 ' CG2' ' H ' ' A' ' 13' ' ' GLY . 3.1 m -62.76 -107.12 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 73.2 111.112 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.552 ' H ' ' CG2' ' A' ' 12' ' ' VAL . . . -128.14 -68.7 0.14 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.764 -0.732 . . . . 73.34 112.457 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-O 120.837 0.351 . . . . 75.12 110.914 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.876 0.37 . . . . 74.45 110.898 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -114.43 36.12 4.12 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.757 -0.735 . . . . 51.51 112.472 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.18 -25.0 46.23 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.695 -0.764 . . . . 75.55 112.474 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.688 ' C ' ' HA ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -93.2 35.82 1.07 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.859 0.362 . . . . 75.51 110.902 -179.896 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 39.2 mt -126.29 107.15 10.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 74.5 110.924 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.405 ' O ' ' C ' ' A' ' 7' ' ' ARG . 28.6 t80 -52.85 -18.2 1.78 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 74.4 110.941 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 6' ' ' TYR . 12.8 mtm180 -38.09 -42.33 0.65 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 74.41 110.885 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 14.0 mtt180 -112.3 -45.33 3.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 72.34 110.886 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -126.63 -105.18 0.33 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 75.32 110.861 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.614 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 1.6 t80 -139.03 147.33 41.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 75.13 110.911 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.688 ' HA ' ' C ' ' A' ' 4' ' ' ARG . 14.8 m -68.54 57.17 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.484 . . . . 70.55 111.154 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.523 ' CG2' ' H ' ' A' ' 13' ' ' GLY . 2.1 m -56.55 -104.72 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 72.44 111.155 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.523 ' H ' ' CG2' ' A' ' 12' ' ' VAL . . . -127.0 -61.39 0.14 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.732 -0.747 . . . . 74.05 112.495 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-O 120.818 0.342 . . . . 74.34 110.871 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.4 ptt180 . . . . . 0 N--CA 1.458 -0.066 0 CA-C-O 120.857 0.361 . . . . 72.42 110.897 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -108.04 21.26 29.7 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.761 -0.733 . . . . 73.04 112.471 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -83.2 3.66 83.76 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.746 -0.74 . . . . 71.23 112.512 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.476 ' CA ' ' HA ' ' A' ' 11' ' ' VAL . 0.4 OUTLIER -115.69 40.12 2.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.907 0.384 . . . . 75.12 110.916 -179.883 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.2 mt -120.91 91.77 3.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 75.1 110.94 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -49.0 -25.19 1.83 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 73.55 110.937 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 25.7 mtt180 -45.62 -45.76 14.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 74.02 110.815 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 40.0 mtm180 -111.97 -37.82 4.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 74.3 110.839 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 71.5 mtp85 -125.83 -113.65 0.29 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 64.02 110.867 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.615 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 4.6 t80 -144.08 149.84 37.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 73.42 110.907 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.615 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 10.9 p -77.19 56.73 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 74.43 111.112 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.552 ' CG2' ' H ' ' A' ' 13' ' ' GLY . 14.6 m -76.36 -117.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 75.35 111.083 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.552 ' H ' ' CG2' ' A' ' 12' ' ' VAL . . . -121.26 -47.22 0.31 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.767 -0.73 . . . . 73.35 112.484 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 120.794 0.331 . . . . 74.01 110.885 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.478 -0.249 . . . . 55.240000000000002 112.478 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -62.82 -18.4 59.49 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.79 -0.719 . . . . 71.230000000000004 112.51 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.717 ' C ' ' HA ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -103.43 36.24 2.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.811 0.339 . . . . 73.129999999999995 110.828 -179.835 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 12.3 mt -129.17 109.23 10.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 73.030000000000001 110.892 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.557 ' H ' HG13 ' A' ' 11' ' ' VAL . 9.2 t80 -56.42 -18.81 12.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 74.209999999999994 110.903 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 19.9 mtt85 -42.11 -42.4 2.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 74.510000000000005 110.895 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 15.8 mmt180 -113.32 -43.61 3.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 74.409999999999997 110.84 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 55.7 mtp180 -127.06 -104.48 0.33 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 71.099999999999994 110.899 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.596 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 4.9 t80 -141.35 150.05 41.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 70.239999999999995 110.887 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.717 ' HA ' ' C ' ' A' ' 4' ' ' ARG . 5.0 m -76.19 57.22 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 72.439999999999998 111.119 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.676 HG23 ' H ' ' A' ' 13' ' ' GLY . 3.7 m -73.63 -108.93 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 54.350000000000001 111.145 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.676 ' H ' HG23 ' A' ' 12' ' ' VAL . . . -121.96 -64.91 0.23 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.724 -0.75 . . . . 63.049999999999997 112.438 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 120.81 0.338 . . . . 71.209999999999994 110.882 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' GLY . . . . . 0.422 ' HA2' HD23 ' A' ' 5' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.482 -0.247 . . . . 74.219999999999999 112.482 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -60.68 -18.69 53.12 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.76 -0.733 . . . . 64.239999999999995 112.507 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.723 ' C ' ' HA ' ' A' ' 11' ' ' VAL . 0.1 OUTLIER -102.94 36.07 2.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.844 0.354 . . . . 72.420000000000002 110.862 -179.829 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.64 HD22 ' C ' ' A' ' 4' ' ' ARG . 4.3 mm? -129.06 110.09 11.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 74.209999999999994 110.923 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.571 ' H ' HG13 ' A' ' 11' ' ' VAL . 9.2 t80 -57.22 -18.31 15.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 74.010000000000005 110.931 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.36 -42.72 3.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 71.409999999999997 110.873 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -113.28 -43.28 3.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 73.299999999999997 110.856 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 84.6 mtt180 -127.02 -104.74 0.33 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 72.5 110.858 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.594 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 4.8 t80 -141.3 150.19 42.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 74.540000000000006 110.874 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.723 ' HA ' ' C ' ' A' ' 4' ' ' ARG . 5.2 m -76.16 57.25 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 75.409999999999997 111.153 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.67 HG23 ' H ' ' A' ' 13' ' ' GLY . 3.7 m -73.6 -108.96 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.48 . . . . 71.329999999999998 111.162 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.67 ' H ' HG23 ' A' ' 12' ' ' VAL . . . -121.94 -64.94 0.23 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.756 -0.735 . . . . 72.140000000000001 112.521 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 120.842 0.354 . . . . 75.25 110.912 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.458 -0.257 . . . . 70.540000000000006 112.458 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -64.52 -16.74 61.26 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.772 -0.728 . . . . 62.43 112.483 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.741 ' C ' ' HA ' ' A' ' 11' ' ' VAL . 0.3 OUTLIER -103.52 36.25 2.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.869 0.366 . . . . 71.540000000000006 110.832 -179.816 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 12.9 mt -129.21 109.26 11.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 70.420000000000002 110.928 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.571 ' H ' HG13 ' A' ' 11' ' ' VAL . 6.8 t80 -56.43 -18.76 12.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 72.120000000000005 110.939 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 8.8 mmt180 -42.13 -42.5 2.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.488 . . . . 75.120000000000005 110.841 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 11.5 ptm180 -113.35 -43.51 3.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 61.329999999999998 110.838 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 30.1 mmt-85 -127.12 -104.57 0.33 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 71.439999999999998 110.853 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.589 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 4.9 t80 -141.3 150.05 42.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 71.530000000000001 110.873 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.741 ' HA ' ' C ' ' A' ' 4' ' ' ARG . 5.0 m -76.18 57.23 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 73.319999999999993 111.128 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.66 HG23 ' H ' ' A' ' 13' ' ' GLY . 3.8 m -73.73 -109.06 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 75.430000000000007 111.131 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.66 ' H ' HG23 ' A' ' 12' ' ' VAL . . . -121.96 -64.9 0.23 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.765 -0.731 . . . . 34.149999999999999 112.49 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 120.837 0.351 . . . . 61.450000000000003 110.831 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.48 -0.248 . . . . 43.340000000000003 112.48 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -62.91 -18.15 59.41 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.791 -0.718 . . . . 74.040000000000006 112.489 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.739 ' C ' ' HA ' ' A' ' 11' ' ' VAL . 0.7 OUTLIER -103.44 36.23 2.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.913 0.387 . . . . 72.439999999999998 110.914 -179.859 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.41 HD23 ' O ' ' A' ' 4' ' ' ARG . 13.2 mt -129.17 109.21 10.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 74.140000000000001 110.908 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.572 ' H ' HG13 ' A' ' 11' ' ' VAL . 7.9 t80 -56.34 -18.91 12.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 71.239999999999995 110.917 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.08 -42.42 2.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.101 -0.5 . . . . 73.439999999999998 110.839 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 19.8 mtt-85 -113.3 -43.63 3.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 72.099999999999994 110.855 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.8 mtt180 -127.11 -104.47 0.33 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 51.439999999999998 110.844 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.594 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 4.8 t80 -141.33 150.11 42.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 73.409999999999997 110.911 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.739 ' HA ' ' C ' ' A' ' 4' ' ' ARG . 5.0 m -76.24 57.19 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 75.329999999999998 111.134 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.658 HG23 ' H ' ' A' ' 13' ' ' GLY . 3.8 m -73.65 -109.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 73.319999999999993 111.141 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.658 ' H ' HG23 ' A' ' 12' ' ' VAL . . . -121.91 -64.87 0.23 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.71 -0.757 . . . . 23.120000000000001 112.481 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-O 120.796 0.331 . . . . 72.129999999999995 110.899 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.498 -0.241 . . . . 65.439999999999998 112.498 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -62.77 -17.9 58.62 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.741 -0.742 . . . . 71.010000000000005 112.473 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.725 ' C ' ' HA ' ' A' ' 11' ' ' VAL . 0.1 OUTLIER -103.85 36.44 2.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.841 0.353 . . . . 73.519999999999996 110.869 -179.868 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.4 mt -129.18 109.0 10.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 61.25 110.902 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.582 ' H ' HG13 ' A' ' 11' ' ' VAL . 8.6 t80 -56.43 -18.92 12.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 72.329999999999998 110.907 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 27.0 mtt180 -42.18 -42.47 3.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 71.420000000000002 110.908 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 69.0 mtt-85 -113.37 -43.38 3.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 71.030000000000001 110.883 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.5 mmm180 -127.1 -104.66 0.33 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 74.409999999999997 110.879 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.589 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 4.9 t80 -141.31 149.86 41.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 75.510000000000005 110.9 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.725 ' HA ' ' C ' ' A' ' 4' ' ' ARG . 4.9 m -76.29 57.12 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 71.450000000000003 111.16 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.678 HG23 ' H ' ' A' ' 13' ' ' GLY . 3.8 m -73.66 -108.94 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 65.209999999999994 111.168 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.678 ' H ' HG23 ' A' ' 12' ' ' VAL . . . -121.92 -64.73 0.23 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.727 -0.749 . . . . 61.109999999999999 112.5 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-O 120.764 0.316 . . . . 74.409999999999997 110.897 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.442 -0.263 . . . . 40.509999999999998 112.442 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -62.55 -18.27 58.54 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.769 -0.729 . . . . 44.450000000000003 112.502 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.737 ' C ' ' HA ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -103.78 36.39 2.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.857 0.36 . . . . 74.450000000000003 110.899 -179.882 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 12.1 mt -129.16 109.03 10.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 73.040000000000006 110.888 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.586 ' H ' HG13 ' A' ' 11' ' ' VAL . 9.2 t80 -56.41 -18.94 12.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 71.010000000000005 110.951 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.19 -42.43 3.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.104 -0.498 . . . . 73.549999999999997 110.865 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 11.7 ptp180 -113.38 -43.44 3.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 63.530000000000001 110.886 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -127.07 -104.6 0.33 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 74.450000000000003 110.888 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.597 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 4.9 t80 -141.39 149.92 41.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 54.149999999999999 110.868 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.737 ' HA ' ' C ' ' A' ' 4' ' ' ARG . 4.9 m -76.33 57.18 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 74.239999999999995 111.169 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.663 HG23 ' H ' ' A' ' 13' ' ' GLY . 3.7 m -73.65 -108.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.141 -0.481 . . . . 72.420000000000002 111.173 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.663 ' H ' HG23 ' A' ' 12' ' ' VAL . . . -121.9 -64.77 0.23 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.738 -0.744 . . . . 61.299999999999997 112.474 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-O 120.845 0.355 . . . . 72.340000000000003 110.894 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' GLY . . . . . 0.626 ' HA2' HD13 ' A' ' 5' ' ' LEU . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.5 -0.24 . . . . 54.109999999999999 112.5 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -66.99 -18.43 68.82 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.692 -0.766 . . . . 64.230000000000004 112.488 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.73 ' C ' ' HA ' ' A' ' 11' ' ' VAL . 0.4 OUTLIER -103.69 36.54 2.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.884 0.373 . . . . 74.140000000000001 110.884 -179.888 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.626 HD13 ' HA2' ' A' ' 2' ' ' GLY . 7.5 mp -129.24 109.3 11.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 74.140000000000001 110.909 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.585 ' H ' HG13 ' A' ' 11' ' ' VAL . 5.6 t80 -56.93 -18.59 13.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 71.319999999999993 110.931 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -42.39 -42.59 3.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 74.329999999999998 110.861 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 30.0 mtt180 -113.38 -43.18 3.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 70.510000000000005 110.911 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -127.11 -104.68 0.33 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 61.5 110.888 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.594 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 4.9 t80 -141.37 149.76 41.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 71.519999999999996 110.852 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.73 ' HA ' ' C ' ' A' ' 4' ' ' ARG . 4.4 m -76.32 57.22 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 51.43 111.143 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.676 HG23 ' H ' ' A' ' 13' ' ' GLY . 3.7 m -73.64 -108.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 62.109999999999999 111.124 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.676 ' H ' HG23 ' A' ' 12' ' ' VAL . . . -121.89 -64.88 0.23 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.773 -0.727 . . . . 54.340000000000003 112.464 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.275 0 CA-C-O 120.807 0.336 . . . . 71.540000000000006 110.858 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' GLY . . . . . 0.41 ' HA2' HD23 ' A' ' 5' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.451 -0.26 . . . . 72.5 112.451 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -64.9 -18.41 64.3 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.786 -0.721 . . . . 62.409999999999997 112.432 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.727 ' C ' ' HA ' ' A' ' 11' ' ' VAL . 0.4 OUTLIER -103.3 36.32 2.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.892 0.377 . . . . 71.120000000000005 110.89 -179.863 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.655 HD22 ' C ' ' A' ' 4' ' ' ARG . 4.3 mm? -129.09 109.82 11.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 70.400000000000006 110.917 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.561 ' H ' HG13 ' A' ' 11' ' ' VAL . 8.4 t80 -57.39 -18.19 16.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 65.129999999999995 110.934 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -42.59 -42.77 3.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 74.400000000000006 110.814 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.1 ptp180 -113.29 -43.09 3.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 74.5 110.857 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -127.11 -104.84 0.33 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 73.450000000000003 110.834 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.59 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 4.9 t80 -141.38 149.9 41.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 72.230000000000004 110.871 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.727 ' HA ' ' C ' ' A' ' 4' ' ' ARG . 4.9 m -76.21 57.26 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 73.310000000000002 111.128 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.674 HG23 ' H ' ' A' ' 13' ' ' GLY . 3.7 m -73.71 -108.98 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 75.019999999999996 111.066 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.674 ' H ' HG23 ' A' ' 12' ' ' VAL . . . -121.93 -64.83 0.23 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.724 -0.75 . . . . 54.25 112.493 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-O 120.829 0.347 . . . . 73.299999999999997 110.869 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.437 -0.265 . . . . 74.140000000000001 112.437 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -95.47 -4.59 60.75 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.744 -0.741 . . . . 51.399999999999999 112.462 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.735 ' C ' ' HA ' ' A' ' 11' ' ' VAL . 1.6 ptm180 -106.97 36.25 2.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.855 0.36 . . . . 71.400000000000006 110.857 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.558 ' O ' HD12 ' A' ' 5' ' ' LEU . 1.1 pp -129.66 109.53 11.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 73.430000000000007 110.916 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.573 ' H ' HG13 ' A' ' 11' ' ' VAL . 6.2 t80 -56.5 -18.85 12.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 75.129999999999995 110.949 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.41 -42.7 3.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 74.209999999999994 110.889 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.9 mtp180 -113.24 -43.59 3.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 64.420000000000002 110.867 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 28.3 mmt180 -126.94 -104.61 0.33 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 73.129999999999995 110.88 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.601 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 5.5 t80 -141.84 149.95 40.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.458 . . . . 74.010000000000005 110.844 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.735 ' HA ' ' C ' ' A' ' 4' ' ' ARG . 5.7 m -76.4 56.8 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 73.430000000000007 111.134 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.622 HG23 ' H ' ' A' ' 13' ' ' GLY . 7.7 m -75.74 -114.39 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 75.430000000000007 111.117 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.622 ' H ' HG23 ' A' ' 12' ' ' VAL . . . -122.2 -54.26 0.21 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.731 -0.747 . . . . 60.520000000000003 112.504 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-O 120.786 0.327 . . . . 63.32 110.818 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.472 -0.251 . . . . 61.119999999999997 112.472 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -72.39 -8.28 70.45 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.698 -0.763 . . . . 50.240000000000002 112.514 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.736 ' C ' ' HA ' ' A' ' 11' ' ' VAL . 0.3 OUTLIER -104.73 36.01 2.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.863 0.363 . . . . 64.209999999999994 110.879 -179.845 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.447 HD23 ' O ' ' A' ' 4' ' ' ARG . 14.0 mt -129.35 109.45 11.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 74.519999999999996 110.892 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.572 ' H ' HG13 ' A' ' 11' ' ' VAL . 8.1 t80 -56.73 -18.5 12.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 71.099999999999994 110.912 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 5.7 mtt-85 -42.19 -42.66 3.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.483 . . . . 74.549999999999997 110.903 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 25.7 mtt180 -113.23 -43.45 3.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 74.430000000000007 110.894 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 40.2 mtp180 -127.02 -104.57 0.33 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 72.510000000000005 110.844 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.593 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 5.2 t80 -141.4 150.1 41.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 54.219999999999999 110.853 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.736 ' HA ' ' C ' ' A' ' 4' ' ' ARG . 5.2 m -76.2 57.0 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 75.25 111.117 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.61 HG23 ' H ' ' A' ' 13' ' ' GLY . 7.2 m -75.56 -114.33 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 63.539999999999999 111.147 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.61 ' H ' HG23 ' A' ' 12' ' ' VAL . . . -122.86 -51.95 0.21 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.709 -0.758 . . . . 51.43 112.462 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-O 120.797 0.332 . . . . 65.120000000000005 110.877 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' GLY . . . . . 0.492 ' CA ' HD21 ' A' ' 5' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.528 -0.229 . . . . 74.349999999999994 112.528 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' GLY . . . . . 0.42 ' O ' HG22 ' A' ' 12' ' ' VAL . . . -101.88 1.46 51.92 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.713 -0.755 . . . . 53.020000000000003 112.499 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.707 ' C ' ' HA ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -107.78 35.43 3.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.88 0.371 . . . . 72.310000000000002 110.937 -179.934 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.509 HD12 ' HG2' ' A' ' 8' ' ' ARG . 0.3 OUTLIER -129.53 110.16 11.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 65.150000000000006 110.922 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.572 ' H ' HG13 ' A' ' 11' ' ' VAL . 9.8 t80 -57.34 -18.0 15.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 73.519999999999996 110.862 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.74 -43.62 4.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 75.510000000000005 110.874 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.509 ' HG2' HD12 ' A' ' 5' ' ' LEU . 16.4 ptp180 -113.19 -42.44 3.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 74.099999999999994 110.856 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.3 mmm-85 -126.9 -105.6 0.32 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 73.430000000000007 110.915 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.591 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 5.6 t80 -142.08 149.81 40.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 72.450000000000003 110.836 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.707 ' HA ' ' C ' ' A' ' 4' ' ' ARG . 6.6 m -76.53 56.76 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.106 -0.497 . . . . 74.219999999999999 111.12 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.613 HG23 ' H ' ' A' ' 13' ' ' GLY . 11.4 m -75.35 -116.14 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 72.349999999999994 111.109 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.613 ' H ' HG23 ' A' ' 12' ' ' VAL . . . -122.37 -50.9 0.23 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.7 -0.762 . . . . 75.200000000000003 112.465 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 CA-C-O 120.772 0.32 . . . . 75.430000000000007 110.832 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.519 -0.232 . . . . 42.100000000000001 112.519 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' GLY . . . . . 0.426 ' O ' HG22 ' A' ' 12' ' ' VAL . . . -99.34 28.26 16.22 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.786 -0.721 . . . . 54.009999999999998 112.493 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.543 ' CA ' ' HA ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -119.68 39.28 3.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.849 0.356 . . . . 71.420000000000002 110.884 -179.879 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.5 HD22 ' C ' ' A' ' 4' ' ' ARG . 4.3 mm? -120.9 109.86 15.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 75.209999999999994 110.881 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -44.33 -31.58 1.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 71.230000000000004 110.914 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.4 -52.54 21.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 75.230000000000004 110.864 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 15.8 mtm180 -113.19 -54.79 2.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 75.040000000000006 110.857 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.449 ' O ' ' C ' ' A' ' 10' ' ' PHE . 36.9 mmm-85 -125.49 115.72 20.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 74.030000000000001 110.856 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.569 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 0.4 OUTLIER -34.5 148.23 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 63.219999999999999 110.913 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.764 ' O ' HG22 ' A' ' 11' ' ' VAL . 2.6 p -63.51 61.89 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 64.019999999999996 111.141 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.651 HG23 ' H ' ' A' ' 13' ' ' GLY . 2.9 m -61.54 -106.21 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 75.299999999999997 111.096 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.651 ' H ' HG23 ' A' ' 12' ' ' VAL . . . -127.84 -68.81 0.14 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.688 -0.768 . . . . 34.25 112.495 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-O 120.787 0.327 . . . . 74.230000000000004 110.857 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.495 -0.242 . . . . 73.219999999999999 112.495 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' GLY . . . . . 0.431 ' O ' HG22 ' A' ' 12' ' ' VAL . . . -97.72 27.32 19.45 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.708 -0.758 . . . . 64.239999999999995 112.527 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.542 ' CA ' ' HA ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -119.52 39.46 3.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.822 0.344 . . . . 75.430000000000007 110.882 -179.878 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.4 mt -120.83 108.78 14.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 74.510000000000005 110.924 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -43.47 -32.52 0.9 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 74.239999999999995 110.905 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 26.7 mtp85 -47.98 -52.08 21.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.105 -0.498 . . . . 75.019999999999996 110.892 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 22.9 mtm180 -113.26 -55.03 2.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 65.25 110.881 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.446 ' O ' ' C ' ' A' ' 10' ' ' PHE . 0.3 OUTLIER -125.4 115.86 20.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 73.439999999999998 110.878 -179.931 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.575 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 0.4 OUTLIER -34.39 148.2 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 44.439999999999998 110.891 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.74 ' O ' HG22 ' A' ' 11' ' ' VAL . 2.6 p -63.64 61.83 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 75.409999999999997 111.113 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.665 HG23 ' H ' ' A' ' 13' ' ' GLY . 2.9 m -61.42 -106.26 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 62.530000000000001 111.133 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.665 ' H ' HG23 ' A' ' 12' ' ' VAL . . . -127.75 -68.87 0.15 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.733 -0.746 . . . . 53.509999999999998 112.491 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-O 120.812 0.339 . . . . 74.230000000000004 110.905 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' GLY . . . . . 0.608 ' HA2' HD13 ' A' ' 5' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.494 -0.243 . . . . 33.119999999999997 112.494 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -70.22 -17.77 74.34 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.711 -0.757 . . . . 72.349999999999994 112.469 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.724 ' C ' ' HA ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -102.96 35.61 2.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.837 0.351 . . . . 75.310000000000002 110.844 -179.823 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.608 HD13 ' HA2' ' A' ' 2' ' ' GLY . 7.1 mp -129.53 108.84 10.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.452 . . . . 71.219999999999999 110.882 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.58 ' H ' HG13 ' A' ' 11' ' ' VAL . 5.1 t80 -54.19 -20.59 7.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 74.230000000000004 110.93 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -42.15 -39.09 1.9 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 73.430000000000007 110.89 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 11.6 mmt180 -112.92 -48.5 2.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 71.409999999999997 110.886 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.52 -99.4 0.39 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 64.230000000000004 110.877 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.604 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 4.9 t80 -143.1 150.64 39.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 74.219999999999999 110.868 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.724 ' HA ' ' C ' ' A' ' 4' ' ' ARG . 4.4 m -76.17 57.13 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 74.430000000000007 111.116 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.653 HG23 ' H ' ' A' ' 13' ' ' GLY . 3.8 m -73.43 -109.17 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 63.039999999999999 111.142 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.653 ' H ' HG23 ' A' ' 12' ' ' VAL . . . -121.82 -65.1 0.23 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.767 -0.73 . . . . 63.520000000000003 112.523 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-O 120.759 0.314 . . . . 64.340000000000003 110.901 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.474 -0.25 . . . . 35.350000000000001 112.474 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -62.35 -18.25 57.93 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.705 -0.759 . . . . 74.530000000000001 112.477 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.736 ' C ' ' HA ' ' A' ' 11' ' ' VAL . 0.2 OUTLIER -103.68 35.96 2.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.867 0.365 . . . . 74.450000000000003 110.868 -179.878 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 13.9 mt -129.54 108.0 9.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.465 . . . . 65.540000000000006 110.886 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.605 ' H ' HG13 ' A' ' 11' ' ' VAL . 3.4 t80 -53.69 -21.07 6.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.167 -0.47 . . . . 74.439999999999998 110.902 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 21.1 mtt180 -42.09 -39.03 1.83 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 73.349999999999994 110.854 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.5 mtm180 -113.0 -48.4 2.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 65.530000000000001 110.891 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.64 -99.52 0.38 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 70.439999999999998 110.858 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.6 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 5.0 t80 -143.07 150.22 39.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 70.099999999999994 110.883 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.736 ' HA ' ' C ' ' A' ' 4' ' ' ARG . 4.1 m -76.21 57.02 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 71.299999999999997 111.154 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.666 HG23 ' H ' ' A' ' 13' ' ' GLY . 3.7 m -73.43 -109.09 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 72.430000000000007 111.121 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.666 ' H ' HG23 ' A' ' 12' ' ' VAL . . . -121.77 -64.91 0.23 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.752 -0.737 . . . . 71.439999999999998 112.502 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-O 120.831 0.348 . . . . 74.430000000000007 110.886 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 N-CA-C 112.469 -0.252 . . . . 71.530000000000001 112.469 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -61.33 -18.66 56.05 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.745 -0.741 . . . . 70.329999999999998 112.486 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.738 ' C ' ' HA ' ' A' ' 11' ' ' VAL . 0.2 OUTLIER -102.99 35.82 2.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.798 0.332 . . . . 71.439999999999998 110.857 -179.861 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.407 HD23 ' O ' ' A' ' 4' ' ' ARG . 18.7 mt -129.44 108.74 10.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 75.400000000000006 110.88 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.57 ' H ' HG13 ' A' ' 11' ' ' VAL . 5.7 t80 -55.14 -19.7 8.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 71.430000000000007 110.937 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.28 -39.72 2.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.105 -0.498 . . . . 74.209999999999994 110.904 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.95 -45.95 3.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 75.209999999999994 110.873 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -127.16 -101.28 0.36 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 75.230000000000004 110.871 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.598 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 4.9 t80 -142.6 150.37 40.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 63.229999999999997 110.872 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.738 ' HA ' ' C ' ' A' ' 4' ' ' ARG . 4.6 m -76.27 57.11 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 74.329999999999998 111.117 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.658 HG23 ' H ' ' A' ' 13' ' ' GLY . 3.8 m -73.46 -109.12 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 62.240000000000002 111.132 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.658 ' H ' HG23 ' A' ' 12' ' ' VAL . . . -121.87 -65.01 0.23 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.704 -0.76 . . . . 23.329999999999998 112.491 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-O 120.81 0.338 . . . . 53.240000000000002 110.832 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.257 0 N-CA-C 112.474 -0.25 . . . . 53.25 112.474 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' GLY . . . . . 0.424 ' O ' HG22 ' A' ' 12' ' ' VAL . . . -99.25 28.2 16.48 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.73 -0.748 . . . . 61.420000000000002 112.457 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.538 ' CA ' ' HA ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -119.57 39.79 3.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.86 0.362 . . . . 72.329999999999998 110.888 -179.896 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.0 mt -120.84 110.28 16.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 61.439999999999998 110.9 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.423 ' HA ' ' HA ' ' A' ' 10' ' ' PHE . 0.3 OUTLIER -45.26 -30.3 1.2 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 72.299999999999997 110.92 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -49.12 -53.38 21.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.102 -0.499 . . . . 64.439999999999998 110.891 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.5 mmm180 -113.16 -53.36 2.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 71.219999999999999 110.883 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.45 ' O ' ' C ' ' A' ' 10' ' ' PHE . 3.9 mtt85 -125.71 114.81 19.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 72.140000000000001 110.849 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.572 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 0.4 OUTLIER -34.44 148.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 73.430000000000007 110.866 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.769 ' O ' HG22 ' A' ' 11' ' ' VAL . 2.6 p -63.57 62.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.098 -0.501 . . . . 52.5 111.137 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.669 HG23 ' H ' ' A' ' 13' ' ' GLY . 3.0 m -61.56 -106.32 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 63.219999999999999 111.119 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.669 ' H ' HG23 ' A' ' 12' ' ' VAL . . . -127.72 -68.74 0.15 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.73 -0.748 . . . . 72.230000000000004 112.526 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 120.798 0.332 . . . . 74.340000000000003 110.875 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.528 -0.229 . . . . 61.530000000000001 112.528 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' GLY . . . . . 0.469 ' O ' HG22 ' A' ' 12' ' ' VAL . . . -97.04 23.89 33.7 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.752 -0.737 . . . . 51.329999999999998 112.488 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.529 ' CA ' ' HA ' ' A' ' 11' ' ' VAL . 0.7 OUTLIER -113.73 38.77 2.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.849 0.357 . . . . 74.329999999999998 110.868 -179.873 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.5 HD22 ' C ' ' A' ' 4' ' ' ARG . 4.3 mm? -120.65 109.52 15.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 71.299999999999997 110.896 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.435 ' HA ' ' HA ' ' A' ' 10' ' ' PHE . 0.3 OUTLIER -45.45 -30.32 1.35 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 73.549999999999997 110.965 179.939 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.4 mtt180 -48.76 -53.46 18.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.081 -0.509 . . . . 75.030000000000001 110.887 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 36.8 mtm180 -113.17 -52.65 2.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 73.409999999999997 110.907 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.446 ' O ' ' C ' ' A' ' 10' ' ' PHE . 54.4 mtt180 -126.06 114.89 19.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.48 . . . . 74.209999999999994 110.866 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.568 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 0.3 OUTLIER -34.28 148.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 71.230000000000004 110.913 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.768 ' O ' HG22 ' A' ' 11' ' ' VAL . 2.6 p -62.59 62.35 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 63.539999999999999 111.136 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.673 HG23 ' H ' ' A' ' 13' ' ' GLY . 3.1 m -62.76 -107.12 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 73.0 111.112 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.673 ' H ' HG23 ' A' ' 12' ' ' VAL . . . -128.14 -68.7 0.14 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.764 -0.732 . . . . 62.25 112.457 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-O 120.837 0.351 . . . . 74.450000000000003 110.914 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.472 -0.251 . . . . 51.409999999999997 112.472 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' GLY . . . . . 0.467 ' O ' HG22 ' A' ' 12' ' ' VAL . . . -56.18 -25.0 46.23 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.695 -0.764 . . . . 75.549999999999997 112.474 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.692 ' C ' ' HA ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -93.2 35.82 1.07 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.859 0.362 . . . . 73.329999999999998 110.902 -179.896 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 39.2 mt -126.29 107.15 10.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 71.200000000000003 110.924 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.439 ' H ' HG13 ' A' ' 11' ' ' VAL . 28.6 t80 -52.85 -18.2 1.78 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 74.400000000000006 110.941 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 6' ' ' TYR . 12.8 mtm180 -38.09 -42.33 0.65 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 74.409999999999997 110.885 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 14.0 mtt180 -112.3 -45.33 3.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 63.240000000000002 110.886 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -126.63 -105.18 0.33 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 75.319999999999993 110.861 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.614 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 1.6 t80 -139.03 147.33 41.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 75.129999999999995 110.911 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.692 ' HA ' ' C ' ' A' ' 4' ' ' ARG . 14.8 m -68.54 57.17 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.484 . . . . 65.219999999999999 111.154 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.635 HG23 ' H ' ' A' ' 13' ' ' GLY . 2.1 m -56.55 -104.72 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 72.340000000000003 111.155 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.635 ' H ' HG23 ' A' ' 12' ' ' VAL . . . -127.0 -61.39 0.14 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.732 -0.747 . . . . 62.420000000000002 112.495 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-O 120.818 0.342 . . . . 61.420000000000002 110.871 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.471 -0.252 . . . . 73.040000000000006 112.471 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' GLY . . . . . 0.477 ' O ' HG22 ' A' ' 12' ' ' VAL . . . -83.2 3.66 83.76 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.746 -0.74 . . . . 42.240000000000002 112.512 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.486 ' CA ' ' HA ' ' A' ' 11' ' ' VAL . 0.4 OUTLIER -115.69 40.12 2.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.907 0.384 . . . . 72.540000000000006 110.916 -179.883 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.2 mt -120.91 91.77 3.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 75.099999999999994 110.94 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -49.0 -25.19 1.83 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 53.43 110.937 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 25.7 mtt180 -45.62 -45.76 14.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 74.019999999999996 110.815 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 40.0 mtm180 -111.97 -37.82 4.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 74.219999999999999 110.839 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 71.5 mtp85 -125.83 -113.65 0.29 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 61.030000000000001 110.867 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.615 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 4.6 t80 -144.08 149.84 37.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 73.420000000000002 110.907 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.615 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 10.9 p -77.19 56.73 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 74.430000000000007 111.112 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.621 HG23 ' H ' ' A' ' 13' ' ' GLY . 14.6 m -76.36 -117.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 75.349999999999994 111.083 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.621 ' H ' HG23 ' A' ' 12' ' ' VAL . . . -121.26 -47.22 0.31 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.767 -0.73 . . . . 73.349999999999994 112.484 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 120.794 0.331 . . . . 73.120000000000005 110.885 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.826 0.346 . . . . 55.409999999999997 110.889 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -94.07 21.61 41.05 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.757 -0.735 . . . . 55.240000000000002 112.478 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -62.82 -18.4 59.49 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.79 -0.719 . . . . 71.230000000000004 112.51 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.717 ' C ' ' HA ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -103.43 36.24 2.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.811 0.339 . . . . 73.129999999999995 110.828 -179.835 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 12.3 mt -129.17 109.23 10.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 73.030000000000001 110.892 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.557 ' H ' HG13 ' A' ' 11' ' ' VAL . 9.2 t80 -56.42 -18.81 12.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 74.209999999999994 110.903 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 19.9 mtt85 -42.11 -42.4 2.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 74.510000000000005 110.895 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 15.8 mmt180 -113.32 -43.61 3.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 74.409999999999997 110.84 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 55.7 mtp180 -127.06 -104.48 0.33 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 71.099999999999994 110.899 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.596 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 4.9 t80 -141.35 150.05 41.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 70.239999999999995 110.887 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.717 ' HA ' ' C ' ' A' ' 4' ' ' ARG . 5.0 m -76.19 57.22 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 72.439999999999998 111.119 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.676 HG23 ' H ' ' A' ' 13' ' ' GLY . 3.7 m -73.63 -108.93 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 54.350000000000001 111.145 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.676 ' H ' HG23 ' A' ' 12' ' ' VAL . . . -121.96 -64.91 0.23 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.724 -0.75 . . . . 63.049999999999997 112.438 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 120.81 0.338 . . . . 71.209999999999994 110.882 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.801 0.334 . . . . 74.099999999999994 110.88 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.422 ' HA2' HD23 ' A' ' 5' ' ' LEU . . . -96.67 21.36 46.27 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.711 -0.757 . . . . 74.219999999999999 112.482 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -60.68 -18.69 53.12 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.76 -0.733 . . . . 64.239999999999995 112.507 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.723 ' C ' ' HA ' ' A' ' 11' ' ' VAL . 0.1 OUTLIER -102.94 36.07 2.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.844 0.354 . . . . 72.420000000000002 110.862 -179.829 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.64 HD22 ' C ' ' A' ' 4' ' ' ARG . 4.3 mm? -129.06 110.09 11.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 74.209999999999994 110.923 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.571 ' H ' HG13 ' A' ' 11' ' ' VAL . 9.2 t80 -57.22 -18.31 15.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 74.010000000000005 110.931 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.36 -42.72 3.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 71.409999999999997 110.873 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -113.28 -43.28 3.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 73.299999999999997 110.856 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 84.6 mtt180 -127.02 -104.74 0.33 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 72.5 110.858 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.594 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 4.8 t80 -141.3 150.19 42.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 74.540000000000006 110.874 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.723 ' HA ' ' C ' ' A' ' 4' ' ' ARG . 5.2 m -76.16 57.25 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 75.409999999999997 111.153 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.67 HG23 ' H ' ' A' ' 13' ' ' GLY . 3.7 m -73.6 -108.96 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.48 . . . . 71.329999999999998 111.162 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.67 ' H ' HG23 ' A' ' 12' ' ' VAL . . . -121.94 -64.94 0.23 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.756 -0.735 . . . . 72.140000000000001 112.521 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 120.842 0.354 . . . . 75.25 110.912 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 20.1 mtm180 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.824 0.345 . . . . 74.010000000000005 110.873 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -104.65 18.34 44.28 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.794 -0.717 . . . . 70.540000000000006 112.458 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -64.52 -16.74 61.26 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.772 -0.728 . . . . 62.43 112.483 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.741 ' C ' ' HA ' ' A' ' 11' ' ' VAL . 0.3 OUTLIER -103.52 36.25 2.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.869 0.366 . . . . 71.540000000000006 110.832 -179.816 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 12.9 mt -129.21 109.26 11.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 70.420000000000002 110.928 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.571 ' H ' HG13 ' A' ' 11' ' ' VAL . 6.8 t80 -56.43 -18.76 12.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 72.120000000000005 110.939 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 8.8 mmt180 -42.13 -42.5 2.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.488 . . . . 75.120000000000005 110.841 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 11.5 ptm180 -113.35 -43.51 3.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 61.329999999999998 110.838 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 30.1 mmt-85 -127.12 -104.57 0.33 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 71.439999999999998 110.853 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.589 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 4.9 t80 -141.3 150.05 42.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 71.530000000000001 110.873 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.741 ' HA ' ' C ' ' A' ' 4' ' ' ARG . 5.0 m -76.18 57.23 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 73.319999999999993 111.128 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.66 HG23 ' H ' ' A' ' 13' ' ' GLY . 3.8 m -73.73 -109.06 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 75.430000000000007 111.131 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.66 ' H ' HG23 ' A' ' 12' ' ' VAL . . . -121.96 -64.9 0.23 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.765 -0.731 . . . . 34.149999999999999 112.49 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 120.837 0.351 . . . . 61.450000000000003 110.831 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.9 mmt85 . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.881 0.372 . . . . 74.0 110.883 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -93.47 19.77 50.6 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.761 -0.733 . . . . 43.340000000000003 112.48 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -62.91 -18.15 59.41 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.791 -0.718 . . . . 74.040000000000006 112.489 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.739 ' C ' ' HA ' ' A' ' 11' ' ' VAL . 0.7 OUTLIER -103.44 36.23 2.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.913 0.387 . . . . 72.439999999999998 110.914 -179.859 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.41 HD23 ' O ' ' A' ' 4' ' ' ARG . 13.2 mt -129.17 109.21 10.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 74.140000000000001 110.908 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.572 ' H ' HG13 ' A' ' 11' ' ' VAL . 7.9 t80 -56.34 -18.91 12.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 71.239999999999995 110.917 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.08 -42.42 2.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.101 -0.5 . . . . 73.439999999999998 110.839 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 19.8 mtt-85 -113.3 -43.63 3.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 72.099999999999994 110.855 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.8 mtt180 -127.11 -104.47 0.33 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 51.439999999999998 110.844 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.594 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 4.8 t80 -141.33 150.11 42.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 73.409999999999997 110.911 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.739 ' HA ' ' C ' ' A' ' 4' ' ' ARG . 5.0 m -76.24 57.19 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 75.329999999999998 111.134 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.658 HG23 ' H ' ' A' ' 13' ' ' GLY . 3.8 m -73.65 -109.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 73.319999999999993 111.141 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.658 ' H ' HG23 ' A' ' 12' ' ' VAL . . . -121.91 -64.87 0.23 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.71 -0.757 . . . . 23.120000000000001 112.481 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-O 120.796 0.331 . . . . 72.129999999999995 110.899 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.811 0.339 . . . . 72.219999999999999 110.878 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -93.26 18.79 55.52 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.773 -0.727 . . . . 65.439999999999998 112.498 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -62.77 -17.9 58.62 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.741 -0.742 . . . . 71.010000000000005 112.473 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.725 ' C ' ' HA ' ' A' ' 11' ' ' VAL . 0.1 OUTLIER -103.85 36.44 2.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.841 0.353 . . . . 73.519999999999996 110.869 -179.868 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.4 mt -129.18 109.0 10.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 61.25 110.902 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.582 ' H ' HG13 ' A' ' 11' ' ' VAL . 8.6 t80 -56.43 -18.92 12.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 72.329999999999998 110.907 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 27.0 mtt180 -42.18 -42.47 3.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 71.420000000000002 110.908 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 69.0 mtt-85 -113.37 -43.38 3.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 71.030000000000001 110.883 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.5 mmm180 -127.1 -104.66 0.33 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 74.409999999999997 110.879 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.589 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 4.9 t80 -141.31 149.86 41.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 75.510000000000005 110.9 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.725 ' HA ' ' C ' ' A' ' 4' ' ' ARG . 4.9 m -76.29 57.12 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 71.450000000000003 111.16 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.678 HG23 ' H ' ' A' ' 13' ' ' GLY . 3.8 m -73.66 -108.94 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 65.209999999999994 111.168 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.678 ' H ' HG23 ' A' ' 12' ' ' VAL . . . -121.92 -64.73 0.23 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.727 -0.749 . . . . 61.109999999999999 112.5 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-O 120.764 0.316 . . . . 74.409999999999997 110.897 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 78.4 mtt180 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.867 0.365 . . . . 72.319999999999993 110.907 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -105.29 22.63 32.38 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.779 -0.724 . . . . 40.509999999999998 112.442 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -62.55 -18.27 58.54 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.769 -0.729 . . . . 44.450000000000003 112.502 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.737 ' C ' ' HA ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -103.78 36.39 2.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.857 0.36 . . . . 74.450000000000003 110.899 -179.882 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 12.1 mt -129.16 109.03 10.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 73.040000000000006 110.888 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.586 ' H ' HG13 ' A' ' 11' ' ' VAL . 9.2 t80 -56.41 -18.94 12.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 71.010000000000005 110.951 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.19 -42.43 3.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.104 -0.498 . . . . 73.549999999999997 110.865 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 11.7 ptp180 -113.38 -43.44 3.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 63.530000000000001 110.886 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -127.07 -104.6 0.33 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 74.450000000000003 110.888 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.597 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 4.9 t80 -141.39 149.92 41.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 54.149999999999999 110.868 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.737 ' HA ' ' C ' ' A' ' 4' ' ' ARG . 4.9 m -76.33 57.18 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 74.239999999999995 111.169 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.663 HG23 ' H ' ' A' ' 13' ' ' GLY . 3.7 m -73.65 -108.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.141 -0.481 . . . . 72.420000000000002 111.173 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.663 ' H ' HG23 ' A' ' 12' ' ' VAL . . . -121.9 -64.77 0.23 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.738 -0.744 . . . . 61.299999999999997 112.474 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-O 120.845 0.355 . . . . 72.340000000000003 110.894 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 6.4 mmt-85 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.865 0.364 . . . . 75.219999999999999 110.884 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.626 ' HA2' HD13 ' A' ' 5' ' ' LEU . . . -110.93 33.72 5.73 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.747 -0.74 . . . . 54.109999999999999 112.5 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -66.99 -18.43 68.82 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.692 -0.766 . . . . 64.230000000000004 112.488 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.73 ' C ' ' HA ' ' A' ' 11' ' ' VAL . 0.4 OUTLIER -103.69 36.54 2.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.884 0.373 . . . . 74.140000000000001 110.884 -179.888 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.626 HD13 ' HA2' ' A' ' 2' ' ' GLY . 7.5 mp -129.24 109.3 11.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 74.140000000000001 110.909 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.585 ' H ' HG13 ' A' ' 11' ' ' VAL . 5.6 t80 -56.93 -18.59 13.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 71.319999999999993 110.931 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -42.39 -42.59 3.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 74.329999999999998 110.861 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 30.0 mtt180 -113.38 -43.18 3.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 70.510000000000005 110.911 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -127.11 -104.68 0.33 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 61.5 110.888 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.594 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 4.9 t80 -141.37 149.76 41.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 71.519999999999996 110.852 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.73 ' HA ' ' C ' ' A' ' 4' ' ' ARG . 4.4 m -76.32 57.22 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 51.43 111.143 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.676 HG23 ' H ' ' A' ' 13' ' ' GLY . 3.7 m -73.64 -108.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 62.109999999999999 111.124 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.676 ' H ' HG23 ' A' ' 12' ' ' VAL . . . -121.89 -64.88 0.23 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.773 -0.727 . . . . 54.340000000000003 112.464 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.275 0 CA-C-O 120.807 0.336 . . . . 71.540000000000006 110.858 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 5.4 mmt180 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.842 0.353 . . . . 73.319999999999993 110.867 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.41 ' HA2' HD23 ' A' ' 5' ' ' LEU . . . -101.83 25.88 26.36 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.707 -0.759 . . . . 72.5 112.451 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -64.9 -18.41 64.3 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.786 -0.721 . . . . 62.409999999999997 112.432 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.727 ' C ' ' HA ' ' A' ' 11' ' ' VAL . 0.4 OUTLIER -103.3 36.32 2.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.892 0.377 . . . . 71.120000000000005 110.89 -179.863 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.655 HD22 ' C ' ' A' ' 4' ' ' ARG . 4.3 mm? -129.09 109.82 11.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 70.400000000000006 110.917 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.561 ' H ' HG13 ' A' ' 11' ' ' VAL . 8.4 t80 -57.39 -18.19 16.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 65.129999999999995 110.934 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -42.59 -42.77 3.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 74.400000000000006 110.814 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.1 ptp180 -113.29 -43.09 3.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 74.5 110.857 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -127.11 -104.84 0.33 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 73.450000000000003 110.834 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.59 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 4.9 t80 -141.38 149.9 41.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 72.230000000000004 110.871 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.727 ' HA ' ' C ' ' A' ' 4' ' ' ARG . 4.9 m -76.21 57.26 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 73.310000000000002 111.128 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.674 HG23 ' H ' ' A' ' 13' ' ' GLY . 3.7 m -73.71 -108.98 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 75.019999999999996 111.066 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.674 ' H ' HG23 ' A' ' 12' ' ' VAL . . . -121.93 -64.83 0.23 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.724 -0.75 . . . . 54.25 112.493 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-O 120.829 0.347 . . . . 73.299999999999997 110.869 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.886 0.374 . . . . 71.239999999999995 110.886 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -120.17 40.04 2.3 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.746 -0.74 . . . . 74.140000000000001 112.437 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -95.47 -4.59 60.75 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.744 -0.741 . . . . 51.399999999999999 112.462 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.735 ' C ' ' HA ' ' A' ' 11' ' ' VAL . 1.6 ptm180 -106.97 36.25 2.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.855 0.36 . . . . 71.400000000000006 110.857 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.558 ' O ' HD12 ' A' ' 5' ' ' LEU . 1.1 pp -129.66 109.53 11.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 73.430000000000007 110.916 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.573 ' H ' HG13 ' A' ' 11' ' ' VAL . 6.2 t80 -56.5 -18.85 12.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 75.129999999999995 110.949 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.41 -42.7 3.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 74.209999999999994 110.889 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.9 mtp180 -113.24 -43.59 3.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 64.420000000000002 110.867 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 28.3 mmt180 -126.94 -104.61 0.33 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 73.129999999999995 110.88 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.601 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 5.5 t80 -141.84 149.95 40.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.458 . . . . 74.010000000000005 110.844 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.735 ' HA ' ' C ' ' A' ' 4' ' ' ARG . 5.7 m -76.4 56.8 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 73.430000000000007 111.134 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.622 HG23 ' H ' ' A' ' 13' ' ' GLY . 7.7 m -75.74 -114.39 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 75.430000000000007 111.117 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.622 ' H ' HG23 ' A' ' 12' ' ' VAL . . . -122.2 -54.26 0.21 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.731 -0.747 . . . . 60.520000000000003 112.504 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-O 120.786 0.327 . . . . 63.32 110.818 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 9.0 mtt180 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.867 0.365 . . . . 73.109999999999999 110.887 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -111.26 29.4 8.78 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.752 -0.737 . . . . 61.119999999999997 112.472 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -72.39 -8.28 70.45 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.698 -0.763 . . . . 50.240000000000002 112.514 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.736 ' C ' ' HA ' ' A' ' 11' ' ' VAL . 0.3 OUTLIER -104.73 36.01 2.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.863 0.363 . . . . 64.209999999999994 110.879 -179.845 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.447 HD23 ' O ' ' A' ' 4' ' ' ARG . 14.0 mt -129.35 109.45 11.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 74.519999999999996 110.892 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.572 ' H ' HG13 ' A' ' 11' ' ' VAL . 8.1 t80 -56.73 -18.5 12.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 71.099999999999994 110.912 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 5.7 mtt-85 -42.19 -42.66 3.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.483 . . . . 74.549999999999997 110.903 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 25.7 mtt180 -113.23 -43.45 3.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 74.430000000000007 110.894 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 40.2 mtp180 -127.02 -104.57 0.33 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 72.510000000000005 110.844 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.593 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 5.2 t80 -141.4 150.1 41.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 54.219999999999999 110.853 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.736 ' HA ' ' C ' ' A' ' 4' ' ' ARG . 5.2 m -76.2 57.0 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 75.25 111.117 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.61 HG23 ' H ' ' A' ' 13' ' ' GLY . 7.2 m -75.56 -114.33 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 63.539999999999999 111.147 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.61 ' H ' HG23 ' A' ' 12' ' ' VAL . . . -122.86 -51.95 0.21 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.709 -0.758 . . . . 51.43 112.462 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-O 120.797 0.332 . . . . 65.120000000000005 110.877 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 5.5 mmt180 . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 120.827 0.346 . . . . 72.430000000000007 110.853 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.492 ' CA ' HD21 ' A' ' 5' ' ' LEU . . . -120.13 40.12 2.28 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.711 -0.756 . . . . 74.349999999999994 112.528 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.42 ' O ' HG22 ' A' ' 12' ' ' VAL . . . -101.88 1.46 51.92 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.713 -0.755 . . . . 53.020000000000003 112.499 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.707 ' C ' ' HA ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -107.78 35.43 3.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.88 0.371 . . . . 72.310000000000002 110.937 -179.934 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.509 HD12 ' HG2' ' A' ' 8' ' ' ARG . 0.3 OUTLIER -129.53 110.16 11.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 65.150000000000006 110.922 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.572 ' H ' HG13 ' A' ' 11' ' ' VAL . 9.8 t80 -57.34 -18.0 15.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 73.519999999999996 110.862 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.74 -43.62 4.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 75.510000000000005 110.874 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.509 ' HG2' HD12 ' A' ' 5' ' ' LEU . 16.4 ptp180 -113.19 -42.44 3.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 74.099999999999994 110.856 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.3 mmm-85 -126.9 -105.6 0.32 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 73.430000000000007 110.915 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.591 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 5.6 t80 -142.08 149.81 40.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 72.450000000000003 110.836 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.707 ' HA ' ' C ' ' A' ' 4' ' ' ARG . 6.6 m -76.53 56.76 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.106 -0.497 . . . . 74.219999999999999 111.12 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.613 HG23 ' H ' ' A' ' 13' ' ' GLY . 11.4 m -75.35 -116.14 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 72.349999999999994 111.109 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.613 ' H ' HG23 ' A' ' 12' ' ' VAL . . . -122.37 -50.9 0.23 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.7 -0.762 . . . . 75.200000000000003 112.465 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 CA-C-O 120.772 0.32 . . . . 75.430000000000007 110.832 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.893 0.377 . . . . 64.409999999999997 110.881 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -118.93 38.97 2.68 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.785 -0.722 . . . . 42.100000000000001 112.519 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.426 ' O ' HG22 ' A' ' 12' ' ' VAL . . . -99.34 28.26 16.22 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.786 -0.721 . . . . 54.009999999999998 112.493 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.543 ' CA ' ' HA ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -119.68 39.28 3.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.849 0.356 . . . . 71.420000000000002 110.884 -179.879 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.5 HD22 ' C ' ' A' ' 4' ' ' ARG . 4.3 mm? -120.9 109.86 15.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 75.209999999999994 110.881 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -44.33 -31.58 1.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 71.230000000000004 110.914 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.4 -52.54 21.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 75.230000000000004 110.864 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 15.8 mtm180 -113.19 -54.79 2.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 75.040000000000006 110.857 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.449 ' O ' ' C ' ' A' ' 10' ' ' PHE . 36.9 mmm-85 -125.49 115.72 20.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 74.030000000000001 110.856 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.569 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 0.4 OUTLIER -34.5 148.23 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 63.219999999999999 110.913 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.764 ' O ' HG22 ' A' ' 11' ' ' VAL . 2.6 p -63.51 61.89 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 64.019999999999996 111.141 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.651 HG23 ' H ' ' A' ' 13' ' ' GLY . 2.9 m -61.54 -106.21 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 75.299999999999997 111.096 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.651 ' H ' HG23 ' A' ' 12' ' ' VAL . . . -127.84 -68.81 0.14 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.688 -0.768 . . . . 34.25 112.495 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-O 120.787 0.327 . . . . 74.230000000000004 110.857 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.458 -0.067 0 CA-C-O 120.894 0.378 . . . . 71.129999999999995 110.914 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -119.92 39.48 2.46 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.758 -0.734 . . . . 73.219999999999999 112.495 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.431 ' O ' HG22 ' A' ' 12' ' ' VAL . . . -97.72 27.32 19.45 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.708 -0.758 . . . . 64.239999999999995 112.527 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.542 ' CA ' ' HA ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -119.52 39.46 3.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.822 0.344 . . . . 75.430000000000007 110.882 -179.878 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.4 mt -120.83 108.78 14.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 74.510000000000005 110.924 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -43.47 -32.52 0.9 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 74.239999999999995 110.905 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 26.7 mtp85 -47.98 -52.08 21.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.105 -0.498 . . . . 75.019999999999996 110.892 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 22.9 mtm180 -113.26 -55.03 2.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 65.25 110.881 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.446 ' O ' ' C ' ' A' ' 10' ' ' PHE . 0.3 OUTLIER -125.4 115.86 20.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 73.439999999999998 110.878 -179.931 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.575 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 0.4 OUTLIER -34.39 148.2 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 44.439999999999998 110.891 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.74 ' O ' HG22 ' A' ' 11' ' ' VAL . 2.6 p -63.64 61.83 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 75.409999999999997 111.113 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.665 HG23 ' H ' ' A' ' 13' ' ' GLY . 2.9 m -61.42 -106.26 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 62.530000000000001 111.133 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.665 ' H ' HG23 ' A' ' 12' ' ' VAL . . . -127.75 -68.87 0.15 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.733 -0.746 . . . . 53.509999999999998 112.491 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-O 120.812 0.339 . . . . 74.230000000000004 110.905 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.841 0.353 . . . . 74.030000000000001 110.955 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.608 ' HA2' HD13 ' A' ' 5' ' ' LEU . . . -112.67 35.42 4.62 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.747 -0.74 . . . . 33.119999999999997 112.494 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -70.22 -17.77 74.34 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.711 -0.757 . . . . 72.349999999999994 112.469 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.724 ' C ' ' HA ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -102.96 35.61 2.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.837 0.351 . . . . 75.310000000000002 110.844 -179.823 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.608 HD13 ' HA2' ' A' ' 2' ' ' GLY . 7.1 mp -129.53 108.84 10.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.452 . . . . 71.219999999999999 110.882 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.58 ' H ' HG13 ' A' ' 11' ' ' VAL . 5.1 t80 -54.19 -20.59 7.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 74.230000000000004 110.93 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -42.15 -39.09 1.9 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 73.430000000000007 110.89 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 11.6 mmt180 -112.92 -48.5 2.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 71.409999999999997 110.886 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.52 -99.4 0.39 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 64.230000000000004 110.877 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.604 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 4.9 t80 -143.1 150.64 39.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 74.219999999999999 110.868 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.724 ' HA ' ' C ' ' A' ' 4' ' ' ARG . 4.4 m -76.17 57.13 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 74.430000000000007 111.116 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.653 HG23 ' H ' ' A' ' 13' ' ' GLY . 3.8 m -73.43 -109.17 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 63.039999999999999 111.142 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.653 ' H ' HG23 ' A' ' 12' ' ' VAL . . . -121.82 -65.1 0.23 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.767 -0.73 . . . . 63.520000000000003 112.523 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-O 120.759 0.314 . . . . 64.340000000000003 110.901 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 5.1 ptt180 . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.872 0.368 . . . . 62.219999999999999 110.879 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -100.61 18.92 54.41 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.769 -0.729 . . . . 35.350000000000001 112.474 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -62.35 -18.25 57.93 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.705 -0.759 . . . . 74.530000000000001 112.477 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.736 ' C ' ' HA ' ' A' ' 11' ' ' VAL . 0.2 OUTLIER -103.68 35.96 2.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.867 0.365 . . . . 74.450000000000003 110.868 -179.878 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 13.9 mt -129.54 108.0 9.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.465 . . . . 65.540000000000006 110.886 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.605 ' H ' HG13 ' A' ' 11' ' ' VAL . 3.4 t80 -53.69 -21.07 6.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.167 -0.47 . . . . 74.439999999999998 110.902 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 21.1 mtt180 -42.09 -39.03 1.83 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 73.349999999999994 110.854 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.5 mtm180 -113.0 -48.4 2.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 65.530000000000001 110.891 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.64 -99.52 0.38 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 70.439999999999998 110.858 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.6 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 5.0 t80 -143.07 150.22 39.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 70.099999999999994 110.883 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.736 ' HA ' ' C ' ' A' ' 4' ' ' ARG . 4.1 m -76.21 57.02 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 71.299999999999997 111.154 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.666 HG23 ' H ' ' A' ' 13' ' ' GLY . 3.7 m -73.43 -109.09 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 72.430000000000007 111.121 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.666 ' H ' HG23 ' A' ' 12' ' ' VAL . . . -121.77 -64.91 0.23 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.752 -0.737 . . . . 71.439999999999998 112.502 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-O 120.831 0.348 . . . . 74.430000000000007 110.886 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 40.1 mtt180 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.811 0.339 . . . . 74.549999999999997 110.898 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -97.6 19.4 54.81 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.714 -0.755 . . . . 71.530000000000001 112.469 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -61.33 -18.66 56.05 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.745 -0.741 . . . . 70.329999999999998 112.486 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.738 ' C ' ' HA ' ' A' ' 11' ' ' VAL . 0.2 OUTLIER -102.99 35.82 2.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.798 0.332 . . . . 71.439999999999998 110.857 -179.861 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.407 HD23 ' O ' ' A' ' 4' ' ' ARG . 18.7 mt -129.44 108.74 10.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 75.400000000000006 110.88 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.57 ' H ' HG13 ' A' ' 11' ' ' VAL . 5.7 t80 -55.14 -19.7 8.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 71.430000000000007 110.937 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.28 -39.72 2.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.105 -0.498 . . . . 74.209999999999994 110.904 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.95 -45.95 3.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 75.209999999999994 110.873 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -127.16 -101.28 0.36 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 75.230000000000004 110.871 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.598 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 4.9 t80 -142.6 150.37 40.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 63.229999999999997 110.872 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.738 ' HA ' ' C ' ' A' ' 4' ' ' ARG . 4.6 m -76.27 57.11 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 74.329999999999998 111.117 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.658 HG23 ' H ' ' A' ' 13' ' ' GLY . 3.8 m -73.46 -109.12 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 62.240000000000002 111.132 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.658 ' H ' HG23 ' A' ' 12' ' ' VAL . . . -121.87 -65.01 0.23 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.704 -0.76 . . . . 23.329999999999998 112.491 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-O 120.81 0.338 . . . . 53.240000000000002 110.832 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 3.1 mtt180 . . . . . 0 N--CA 1.458 -0.063 0 CA-C-O 120.848 0.356 . . . . 73.150000000000006 110.868 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -118.27 38.59 2.85 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.709 -0.758 . . . . 53.25 112.474 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.424 ' O ' HG22 ' A' ' 12' ' ' VAL . . . -99.25 28.2 16.48 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.73 -0.748 . . . . 61.420000000000002 112.457 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.538 ' CA ' ' HA ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -119.57 39.79 3.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.86 0.362 . . . . 72.329999999999998 110.888 -179.896 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.0 mt -120.84 110.28 16.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 61.439999999999998 110.9 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.423 ' HA ' ' HA ' ' A' ' 10' ' ' PHE . 0.3 OUTLIER -45.26 -30.3 1.2 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 72.299999999999997 110.92 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -49.12 -53.38 21.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.102 -0.499 . . . . 64.439999999999998 110.891 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.5 mmm180 -113.16 -53.36 2.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 71.219999999999999 110.883 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.45 ' O ' ' C ' ' A' ' 10' ' ' PHE . 3.9 mtt85 -125.71 114.81 19.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 72.140000000000001 110.849 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.572 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 0.4 OUTLIER -34.44 148.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 73.430000000000007 110.866 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.769 ' O ' HG22 ' A' ' 11' ' ' VAL . 2.6 p -63.57 62.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.098 -0.501 . . . . 52.5 111.137 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.669 HG23 ' H ' ' A' ' 13' ' ' GLY . 3.0 m -61.56 -106.32 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 63.219999999999999 111.119 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.669 ' H ' HG23 ' A' ' 12' ' ' VAL . . . -127.72 -68.74 0.15 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.73 -0.748 . . . . 72.230000000000004 112.526 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 120.798 0.332 . . . . 74.340000000000003 110.875 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.089 0 CA-C-O 120.839 0.352 . . . . 75.340000000000003 110.833 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -118.37 35.11 4.14 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.76 -0.733 . . . . 61.530000000000001 112.528 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.469 ' O ' HG22 ' A' ' 12' ' ' VAL . . . -97.04 23.89 33.7 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.752 -0.737 . . . . 51.329999999999998 112.488 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.529 ' CA ' ' HA ' ' A' ' 11' ' ' VAL . 0.7 OUTLIER -113.73 38.77 2.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.849 0.357 . . . . 74.329999999999998 110.868 -179.873 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.5 HD22 ' C ' ' A' ' 4' ' ' ARG . 4.3 mm? -120.65 109.52 15.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 71.299999999999997 110.896 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.435 ' HA ' ' HA ' ' A' ' 10' ' ' PHE . 0.3 OUTLIER -45.45 -30.32 1.35 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 73.549999999999997 110.965 179.939 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.4 mtt180 -48.76 -53.46 18.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.081 -0.509 . . . . 75.030000000000001 110.887 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 36.8 mtm180 -113.17 -52.65 2.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 73.409999999999997 110.907 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.446 ' O ' ' C ' ' A' ' 10' ' ' PHE . 54.4 mtt180 -126.06 114.89 19.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.48 . . . . 74.209999999999994 110.866 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.568 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 0.3 OUTLIER -34.28 148.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 71.230000000000004 110.913 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.768 ' O ' HG22 ' A' ' 11' ' ' VAL . 2.6 p -62.59 62.35 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 63.539999999999999 111.136 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.673 HG23 ' H ' ' A' ' 13' ' ' GLY . 3.1 m -62.76 -107.12 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 73.0 111.112 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.673 ' H ' HG23 ' A' ' 12' ' ' VAL . . . -128.14 -68.7 0.14 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.764 -0.732 . . . . 62.25 112.457 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-O 120.837 0.351 . . . . 74.450000000000003 110.914 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.876 0.37 . . . . 74.450000000000003 110.898 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -114.43 36.12 4.12 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.757 -0.735 . . . . 51.409999999999997 112.472 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.467 ' O ' HG22 ' A' ' 12' ' ' VAL . . . -56.18 -25.0 46.23 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.695 -0.764 . . . . 75.549999999999997 112.474 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.692 ' C ' ' HA ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -93.2 35.82 1.07 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.859 0.362 . . . . 73.329999999999998 110.902 -179.896 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 39.2 mt -126.29 107.15 10.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 71.200000000000003 110.924 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.439 ' H ' HG13 ' A' ' 11' ' ' VAL . 28.6 t80 -52.85 -18.2 1.78 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 74.400000000000006 110.941 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 6' ' ' TYR . 12.8 mtm180 -38.09 -42.33 0.65 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 74.409999999999997 110.885 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 14.0 mtt180 -112.3 -45.33 3.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 63.240000000000002 110.886 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -126.63 -105.18 0.33 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 75.319999999999993 110.861 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.614 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 1.6 t80 -139.03 147.33 41.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 75.129999999999995 110.911 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.692 ' HA ' ' C ' ' A' ' 4' ' ' ARG . 14.8 m -68.54 57.17 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.484 . . . . 65.219999999999999 111.154 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.635 HG23 ' H ' ' A' ' 13' ' ' GLY . 2.1 m -56.55 -104.72 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 72.340000000000003 111.155 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.635 ' H ' HG23 ' A' ' 12' ' ' VAL . . . -127.0 -61.39 0.14 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.732 -0.747 . . . . 62.420000000000002 112.495 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-O 120.818 0.342 . . . . 61.420000000000002 110.871 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.4 ptt180 . . . . . 0 N--CA 1.458 -0.066 0 CA-C-O 120.857 0.361 . . . . 63.420000000000002 110.897 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -108.04 21.26 29.7 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.761 -0.733 . . . . 73.040000000000006 112.471 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.477 ' O ' HG22 ' A' ' 12' ' ' VAL . . . -83.2 3.66 83.76 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.746 -0.74 . . . . 42.240000000000002 112.512 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.486 ' CA ' ' HA ' ' A' ' 11' ' ' VAL . 0.4 OUTLIER -115.69 40.12 2.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.907 0.384 . . . . 72.540000000000006 110.916 -179.883 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.2 mt -120.91 91.77 3.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 75.099999999999994 110.94 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -49.0 -25.19 1.83 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 53.43 110.937 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 25.7 mtt180 -45.62 -45.76 14.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 74.019999999999996 110.815 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 40.0 mtm180 -111.97 -37.82 4.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 74.219999999999999 110.839 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 71.5 mtp85 -125.83 -113.65 0.29 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 61.030000000000001 110.867 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.615 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 4.6 t80 -144.08 149.84 37.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 73.420000000000002 110.907 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.615 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 10.9 p -77.19 56.73 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 74.430000000000007 111.112 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.621 HG23 ' H ' ' A' ' 13' ' ' GLY . 14.6 m -76.36 -117.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 75.349999999999994 111.083 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.621 ' H ' HG23 ' A' ' 12' ' ' VAL . . . -121.26 -47.22 0.31 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.767 -0.73 . . . . 73.349999999999994 112.484 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 120.794 0.331 . . . . 73.120000000000005 110.885 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.478 -0.249 . . . . 55.24 112.478 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -62.82 -18.4 59.49 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.79 -0.719 . . . . 71.23 112.51 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.717 ' C ' ' HA ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -103.43 36.24 2.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.811 0.339 . . . . 73.13 110.828 -179.835 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 12.3 mt -129.17 109.23 10.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 73.03 110.892 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.557 ' H ' HG13 ' A' ' 11' ' ' VAL . 9.2 t80 -56.42 -18.81 12.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 74.21 110.903 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 19.9 mtt85 -42.11 -42.4 2.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 74.51 110.895 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 15.8 mmt180 -113.32 -43.61 3.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 74.41 110.84 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 55.7 mtp180 -127.06 -104.48 0.33 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 71.1 110.899 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.596 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 4.9 t80 -141.35 150.05 41.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 70.24 110.887 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.717 ' HA ' ' C ' ' A' ' 4' ' ' ARG . 5.0 m -76.19 57.22 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 72.44 111.119 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.676 HG23 ' H ' ' A' ' 13' ' ' GLY . 3.7 m -73.63 -108.93 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 54.35 111.145 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.676 ' H ' HG23 ' A' ' 12' ' ' VAL . . . -121.96 -64.91 0.23 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.724 -0.75 . . . . 63.05 112.438 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 120.81 0.338 . . . . 71.21 110.882 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . 0.422 ' HA2' HD23 ' A' ' 5' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.482 -0.247 . . . . 74.22 112.482 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -60.68 -18.69 53.12 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.76 -0.733 . . . . 64.24 112.507 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.723 ' C ' ' HA ' ' A' ' 11' ' ' VAL . 0.1 OUTLIER -102.94 36.07 2.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.844 0.354 . . . . 72.42 110.862 -179.829 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.64 HD22 ' C ' ' A' ' 4' ' ' ARG . 4.3 mm? -129.06 110.09 11.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 74.21 110.923 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.571 ' H ' HG13 ' A' ' 11' ' ' VAL . 9.2 t80 -57.22 -18.31 15.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 74.01 110.931 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.36 -42.72 3.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 71.41 110.873 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -113.28 -43.28 3.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 73.3 110.856 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 84.6 mtt180 -127.02 -104.74 0.33 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 72.5 110.858 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.594 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 4.8 t80 -141.3 150.19 42.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 74.54 110.874 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.723 ' HA ' ' C ' ' A' ' 4' ' ' ARG . 5.2 m -76.16 57.25 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 75.41 111.153 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.67 HG23 ' H ' ' A' ' 13' ' ' GLY . 3.7 m -73.6 -108.96 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.48 . . . . 71.33 111.162 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.67 ' H ' HG23 ' A' ' 12' ' ' VAL . . . -121.94 -64.94 0.23 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.756 -0.735 . . . . 72.14 112.521 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 120.842 0.354 . . . . 75.25 110.912 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.458 -0.257 . . . . 70.54 112.458 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -64.52 -16.74 61.26 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.772 -0.728 . . . . 62.43 112.483 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.741 ' C ' ' HA ' ' A' ' 11' ' ' VAL . 0.3 OUTLIER -103.52 36.25 2.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.869 0.366 . . . . 71.54 110.832 -179.816 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 12.9 mt -129.21 109.26 11.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 70.42 110.928 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.571 ' H ' HG13 ' A' ' 11' ' ' VAL . 6.8 t80 -56.43 -18.76 12.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 72.12 110.939 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 8.8 mmt180 -42.13 -42.5 2.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.488 . . . . 75.12 110.841 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 11.5 ptm180 -113.35 -43.51 3.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 61.33 110.838 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 30.1 mmt-85 -127.12 -104.57 0.33 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 71.44 110.853 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.589 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 4.9 t80 -141.3 150.05 42.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 71.53 110.873 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.741 ' HA ' ' C ' ' A' ' 4' ' ' ARG . 5.0 m -76.18 57.23 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 73.32 111.128 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.66 HG23 ' H ' ' A' ' 13' ' ' GLY . 3.8 m -73.73 -109.06 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 75.43 111.131 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.66 ' H ' HG23 ' A' ' 12' ' ' VAL . . . -121.96 -64.9 0.23 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.765 -0.731 . . . . 34.15 112.49 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 120.837 0.351 . . . . 61.45 110.831 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.48 -0.248 . . . . 43.34 112.48 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -62.91 -18.15 59.41 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.791 -0.718 . . . . 74.04 112.489 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.739 ' C ' ' HA ' ' A' ' 11' ' ' VAL . 0.7 OUTLIER -103.44 36.23 2.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.913 0.387 . . . . 72.44 110.914 -179.859 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.41 HD23 ' O ' ' A' ' 4' ' ' ARG . 13.2 mt -129.17 109.21 10.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 74.14 110.908 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.572 ' H ' HG13 ' A' ' 11' ' ' VAL . 7.9 t80 -56.34 -18.91 12.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 71.24 110.917 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.08 -42.42 2.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.101 -0.5 . . . . 73.44 110.839 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 19.8 mtt-85 -113.3 -43.63 3.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 72.1 110.855 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.8 mtt180 -127.11 -104.47 0.33 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 51.44 110.844 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.594 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 4.8 t80 -141.33 150.11 42.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 73.41 110.911 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.739 ' HA ' ' C ' ' A' ' 4' ' ' ARG . 5.0 m -76.24 57.19 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 75.33 111.134 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.658 HG23 ' H ' ' A' ' 13' ' ' GLY . 3.8 m -73.65 -109.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 73.32 111.141 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.658 ' H ' HG23 ' A' ' 12' ' ' VAL . . . -121.91 -64.87 0.23 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.71 -0.757 . . . . 23.12 112.481 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-O 120.796 0.331 . . . . 72.13 110.899 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.498 -0.241 . . . . 65.44 112.498 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -62.77 -17.9 58.62 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.741 -0.742 . . . . 71.01 112.473 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.725 ' C ' ' HA ' ' A' ' 11' ' ' VAL . 0.1 OUTLIER -103.85 36.44 2.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.841 0.353 . . . . 73.52 110.869 -179.868 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.4 mt -129.18 109.0 10.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 61.25 110.902 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.582 ' H ' HG13 ' A' ' 11' ' ' VAL . 8.6 t80 -56.43 -18.92 12.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 72.33 110.907 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 27.0 mtt180 -42.18 -42.47 3.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 71.42 110.908 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 69.0 mtt-85 -113.37 -43.38 3.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 71.03 110.883 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.5 mmm180 -127.1 -104.66 0.33 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 74.41 110.879 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.589 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 4.9 t80 -141.31 149.86 41.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 75.51 110.9 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.725 ' HA ' ' C ' ' A' ' 4' ' ' ARG . 4.9 m -76.29 57.12 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 71.45 111.16 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.678 HG23 ' H ' ' A' ' 13' ' ' GLY . 3.8 m -73.66 -108.94 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 65.21 111.168 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.678 ' H ' HG23 ' A' ' 12' ' ' VAL . . . -121.92 -64.73 0.23 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.727 -0.749 . . . . 61.11 112.5 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-O 120.764 0.316 . . . . 74.41 110.897 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.442 -0.263 . . . . 40.51 112.442 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -62.55 -18.27 58.54 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.769 -0.729 . . . . 44.45 112.502 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.737 ' C ' ' HA ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -103.78 36.39 2.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.857 0.36 . . . . 74.45 110.899 -179.882 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 12.1 mt -129.16 109.03 10.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 73.04 110.888 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.586 ' H ' HG13 ' A' ' 11' ' ' VAL . 9.2 t80 -56.41 -18.94 12.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 71.01 110.951 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.19 -42.43 3.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.104 -0.498 . . . . 73.55 110.865 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 11.7 ptp180 -113.38 -43.44 3.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 63.53 110.886 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -127.07 -104.6 0.33 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 74.45 110.888 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.597 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 4.9 t80 -141.39 149.92 41.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 54.15 110.868 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.737 ' HA ' ' C ' ' A' ' 4' ' ' ARG . 4.9 m -76.33 57.18 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 74.24 111.169 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.663 HG23 ' H ' ' A' ' 13' ' ' GLY . 3.7 m -73.65 -108.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.141 -0.481 . . . . 72.42 111.173 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.663 ' H ' HG23 ' A' ' 12' ' ' VAL . . . -121.9 -64.77 0.23 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.738 -0.744 . . . . 61.3 112.474 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-O 120.845 0.355 . . . . 72.34 110.894 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . 0.626 ' HA2' HD13 ' A' ' 5' ' ' LEU . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.5 -0.24 . . . . 54.11 112.5 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -66.99 -18.43 68.82 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.692 -0.766 . . . . 64.23 112.488 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.73 ' C ' ' HA ' ' A' ' 11' ' ' VAL . 0.4 OUTLIER -103.69 36.54 2.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.884 0.373 . . . . 74.14 110.884 -179.888 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.626 HD13 ' HA2' ' A' ' 2' ' ' GLY . 7.5 mp -129.24 109.3 11.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 74.14 110.909 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.585 ' H ' HG13 ' A' ' 11' ' ' VAL . 5.6 t80 -56.93 -18.59 13.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 71.32 110.931 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -42.39 -42.59 3.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 74.33 110.861 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 30.0 mtt180 -113.38 -43.18 3.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 70.51 110.911 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -127.11 -104.68 0.33 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 61.5 110.888 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.594 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 4.9 t80 -141.37 149.76 41.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 71.52 110.852 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.73 ' HA ' ' C ' ' A' ' 4' ' ' ARG . 4.4 m -76.32 57.22 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 51.43 111.143 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.676 HG23 ' H ' ' A' ' 13' ' ' GLY . 3.7 m -73.64 -108.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 62.11 111.124 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.676 ' H ' HG23 ' A' ' 12' ' ' VAL . . . -121.89 -64.88 0.23 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.773 -0.727 . . . . 54.34 112.464 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.275 0 CA-C-O 120.807 0.336 . . . . 71.54 110.858 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . 0.41 ' HA2' HD23 ' A' ' 5' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.451 -0.26 . . . . 72.5 112.451 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -64.9 -18.41 64.3 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.786 -0.721 . . . . 62.41 112.432 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.727 ' C ' ' HA ' ' A' ' 11' ' ' VAL . 0.4 OUTLIER -103.3 36.32 2.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.892 0.377 . . . . 71.12 110.89 -179.863 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.655 HD22 ' C ' ' A' ' 4' ' ' ARG . 4.3 mm? -129.09 109.82 11.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 70.4 110.917 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.561 ' H ' HG13 ' A' ' 11' ' ' VAL . 8.4 t80 -57.39 -18.19 16.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 65.13 110.934 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -42.59 -42.77 3.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 74.4 110.814 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.1 ptp180 -113.29 -43.09 3.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 74.5 110.857 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -127.11 -104.84 0.33 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 73.45 110.834 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.59 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 4.9 t80 -141.38 149.9 41.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 72.23 110.871 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.727 ' HA ' ' C ' ' A' ' 4' ' ' ARG . 4.9 m -76.21 57.26 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 73.31 111.128 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.674 HG23 ' H ' ' A' ' 13' ' ' GLY . 3.7 m -73.71 -108.98 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 75.02 111.066 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.674 ' H ' HG23 ' A' ' 12' ' ' VAL . . . -121.93 -64.83 0.23 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.724 -0.75 . . . . 54.25 112.493 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-O 120.829 0.347 . . . . 73.3 110.869 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.437 -0.265 . . . . 74.14 112.437 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -95.47 -4.59 60.75 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.744 -0.741 . . . . 51.4 112.462 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.735 ' C ' ' HA ' ' A' ' 11' ' ' VAL . 1.6 ptm180 -106.97 36.25 2.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.855 0.36 . . . . 71.4 110.857 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.558 ' O ' HD12 ' A' ' 5' ' ' LEU . 1.1 pp -129.66 109.53 11.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 73.43 110.916 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.573 ' H ' HG13 ' A' ' 11' ' ' VAL . 6.2 t80 -56.5 -18.85 12.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 75.13 110.949 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.41 -42.7 3.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 74.21 110.889 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.9 mtp180 -113.24 -43.59 3.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 64.42 110.867 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 28.3 mmt180 -126.94 -104.61 0.33 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 73.13 110.88 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.601 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 5.5 t80 -141.84 149.95 40.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.458 . . . . 74.01 110.844 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.735 ' HA ' ' C ' ' A' ' 4' ' ' ARG . 5.7 m -76.4 56.8 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 73.43 111.134 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.622 HG23 ' H ' ' A' ' 13' ' ' GLY . 7.7 m -75.74 -114.39 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 75.43 111.117 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.622 ' H ' HG23 ' A' ' 12' ' ' VAL . . . -122.2 -54.26 0.21 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.731 -0.747 . . . . 60.52 112.504 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-O 120.786 0.327 . . . . 63.32 110.818 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.472 -0.251 . . . . 61.12 112.472 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -72.39 -8.28 70.45 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.698 -0.763 . . . . 50.24 112.514 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.736 ' C ' ' HA ' ' A' ' 11' ' ' VAL . 0.3 OUTLIER -104.73 36.01 2.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.863 0.363 . . . . 64.21 110.879 -179.845 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.447 HD23 ' O ' ' A' ' 4' ' ' ARG . 14.0 mt -129.35 109.45 11.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 74.52 110.892 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.572 ' H ' HG13 ' A' ' 11' ' ' VAL . 8.1 t80 -56.73 -18.5 12.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 71.1 110.912 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 5.7 mtt-85 -42.19 -42.66 3.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.483 . . . . 74.55 110.903 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 25.7 mtt180 -113.23 -43.45 3.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 74.43 110.894 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 40.2 mtp180 -127.02 -104.57 0.33 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 72.51 110.844 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.593 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 5.2 t80 -141.4 150.1 41.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 54.22 110.853 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.736 ' HA ' ' C ' ' A' ' 4' ' ' ARG . 5.2 m -76.2 57.0 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 75.25 111.117 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.61 HG23 ' H ' ' A' ' 13' ' ' GLY . 7.2 m -75.56 -114.33 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 63.54 111.147 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.61 ' H ' HG23 ' A' ' 12' ' ' VAL . . . -122.86 -51.95 0.21 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.709 -0.758 . . . . 51.43 112.462 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-O 120.797 0.332 . . . . 65.12 110.877 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . 0.492 ' CA ' HD21 ' A' ' 5' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.528 -0.229 . . . . 74.35 112.528 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . 0.42 ' O ' HG22 ' A' ' 12' ' ' VAL . . . -101.88 1.46 51.92 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.713 -0.755 . . . . 53.02 112.499 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.707 ' C ' ' HA ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -107.78 35.43 3.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.88 0.371 . . . . 72.31 110.937 -179.934 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.509 HD12 ' HG2' ' A' ' 8' ' ' ARG . 0.3 OUTLIER -129.53 110.16 11.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 65.15 110.922 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.572 ' H ' HG13 ' A' ' 11' ' ' VAL . 9.8 t80 -57.34 -18.0 15.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 73.52 110.862 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.74 -43.62 4.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 75.51 110.874 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.509 ' HG2' HD12 ' A' ' 5' ' ' LEU . 16.4 ptp180 -113.19 -42.44 3.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 74.1 110.856 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.3 mmm-85 -126.9 -105.6 0.32 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 73.43 110.915 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.591 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 5.6 t80 -142.08 149.81 40.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 72.45 110.836 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.707 ' HA ' ' C ' ' A' ' 4' ' ' ARG . 6.6 m -76.53 56.76 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.106 -0.497 . . . . 74.22 111.12 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.613 HG23 ' H ' ' A' ' 13' ' ' GLY . 11.4 m -75.35 -116.14 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 72.35 111.109 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.613 ' H ' HG23 ' A' ' 12' ' ' VAL . . . -122.37 -50.9 0.23 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.7 -0.762 . . . . 75.2 112.465 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 CA-C-O 120.772 0.32 . . . . 75.43 110.832 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.519 -0.232 . . . . 42.1 112.519 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . 0.426 ' O ' HG22 ' A' ' 12' ' ' VAL . . . -99.34 28.26 16.22 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.786 -0.721 . . . . 54.01 112.493 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.543 ' CA ' ' HA ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -119.68 39.28 3.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.849 0.356 . . . . 71.42 110.884 -179.879 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.5 HD22 ' C ' ' A' ' 4' ' ' ARG . 4.3 mm? -120.9 109.86 15.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 75.21 110.881 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -44.33 -31.58 1.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 71.23 110.914 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.4 -52.54 21.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 75.23 110.864 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 15.8 mtm180 -113.19 -54.79 2.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 75.04 110.857 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.449 ' O ' ' C ' ' A' ' 10' ' ' PHE . 36.9 mmm-85 -125.49 115.72 20.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 74.03 110.856 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.569 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 0.4 OUTLIER -34.5 148.23 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 63.22 110.913 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.764 HG22 ' O ' ' A' ' 11' ' ' VAL . 2.6 p -63.51 61.89 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 64.02 111.141 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.651 HG23 ' H ' ' A' ' 13' ' ' GLY . 2.9 m -61.54 -106.21 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 75.3 111.096 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.651 ' H ' HG23 ' A' ' 12' ' ' VAL . . . -127.84 -68.81 0.14 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.688 -0.768 . . . . 34.25 112.495 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-O 120.787 0.327 . . . . 74.23 110.857 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.495 -0.242 . . . . 73.22 112.495 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . 0.431 ' O ' HG22 ' A' ' 12' ' ' VAL . . . -97.72 27.32 19.45 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.708 -0.758 . . . . 64.24 112.527 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.542 ' CA ' ' HA ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -119.52 39.46 3.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.822 0.344 . . . . 75.43 110.882 -179.878 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.4 mt -120.83 108.78 14.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 74.51 110.924 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -43.47 -32.52 0.9 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 74.24 110.905 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 26.7 mtp85 -47.98 -52.08 21.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.105 -0.498 . . . . 75.02 110.892 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 22.9 mtm180 -113.26 -55.03 2.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 65.25 110.881 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.446 ' O ' ' C ' ' A' ' 10' ' ' PHE . 0.3 OUTLIER -125.4 115.86 20.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 73.44 110.878 -179.931 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.575 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 0.4 OUTLIER -34.39 148.2 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 44.44 110.891 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.74 HG22 ' O ' ' A' ' 11' ' ' VAL . 2.6 p -63.64 61.83 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 75.41 111.113 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.665 HG23 ' H ' ' A' ' 13' ' ' GLY . 2.9 m -61.42 -106.26 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 62.53 111.133 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.665 ' H ' HG23 ' A' ' 12' ' ' VAL . . . -127.75 -68.87 0.15 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.733 -0.746 . . . . 53.51 112.491 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-O 120.812 0.339 . . . . 74.23 110.905 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . 0.608 ' HA2' HD13 ' A' ' 5' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.494 -0.243 . . . . 33.12 112.494 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -70.22 -17.77 74.34 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.711 -0.757 . . . . 72.35 112.469 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.724 ' C ' ' HA ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -102.96 35.61 2.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.837 0.351 . . . . 75.31 110.844 -179.823 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.608 HD13 ' HA2' ' A' ' 2' ' ' GLY . 7.1 mp -129.53 108.84 10.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.452 . . . . 71.22 110.882 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.58 ' H ' HG13 ' A' ' 11' ' ' VAL . 5.1 t80 -54.19 -20.59 7.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 74.23 110.93 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -42.15 -39.09 1.9 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 73.43 110.89 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 11.6 mmt180 -112.92 -48.5 2.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 71.41 110.886 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.52 -99.4 0.39 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 64.23 110.877 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.604 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 4.9 t80 -143.1 150.64 39.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 74.22 110.868 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.724 ' HA ' ' C ' ' A' ' 4' ' ' ARG . 4.4 m -76.17 57.13 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 74.43 111.116 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.653 HG23 ' H ' ' A' ' 13' ' ' GLY . 3.8 m -73.43 -109.17 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 63.04 111.142 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.653 ' H ' HG23 ' A' ' 12' ' ' VAL . . . -121.82 -65.1 0.23 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.767 -0.73 . . . . 63.52 112.523 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-O 120.759 0.314 . . . . 64.34 110.901 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.474 -0.25 . . . . 35.35 112.474 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -62.35 -18.25 57.93 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.705 -0.759 . . . . 74.53 112.477 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.736 ' C ' ' HA ' ' A' ' 11' ' ' VAL . 0.2 OUTLIER -103.68 35.96 2.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.867 0.365 . . . . 74.45 110.868 -179.878 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 13.9 mt -129.54 108.0 9.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.465 . . . . 65.54 110.886 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.605 ' H ' HG13 ' A' ' 11' ' ' VAL . 3.4 t80 -53.69 -21.07 6.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.167 -0.47 . . . . 74.44 110.902 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 21.1 mtt180 -42.09 -39.03 1.83 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 73.35 110.854 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.5 mtm180 -113.0 -48.4 2.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 65.53 110.891 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.64 -99.52 0.38 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 70.44 110.858 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.6 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 5.0 t80 -143.07 150.22 39.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 70.1 110.883 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.736 ' HA ' ' C ' ' A' ' 4' ' ' ARG . 4.1 m -76.21 57.02 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 71.3 111.154 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.666 HG23 ' H ' ' A' ' 13' ' ' GLY . 3.7 m -73.43 -109.09 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 72.43 111.121 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.666 ' H ' HG23 ' A' ' 12' ' ' VAL . . . -121.77 -64.91 0.23 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.752 -0.737 . . . . 71.44 112.502 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-O 120.831 0.348 . . . . 74.43 110.886 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 N-CA-C 112.469 -0.252 . . . . 71.53 112.469 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -61.33 -18.66 56.05 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.745 -0.741 . . . . 70.33 112.486 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.738 ' C ' ' HA ' ' A' ' 11' ' ' VAL . 0.2 OUTLIER -102.99 35.82 2.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.798 0.332 . . . . 71.44 110.857 -179.861 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.407 HD23 ' O ' ' A' ' 4' ' ' ARG . 18.7 mt -129.44 108.74 10.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 75.4 110.88 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.57 ' H ' HG13 ' A' ' 11' ' ' VAL . 5.7 t80 -55.14 -19.7 8.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 71.43 110.937 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.28 -39.72 2.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.105 -0.498 . . . . 74.21 110.904 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.95 -45.95 3.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 75.21 110.873 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -127.16 -101.28 0.36 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 75.23 110.871 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.598 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 4.9 t80 -142.6 150.37 40.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 63.23 110.872 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.738 ' HA ' ' C ' ' A' ' 4' ' ' ARG . 4.6 m -76.27 57.11 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 74.33 111.117 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.658 HG23 ' H ' ' A' ' 13' ' ' GLY . 3.8 m -73.46 -109.12 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 62.24 111.132 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.658 ' H ' HG23 ' A' ' 12' ' ' VAL . . . -121.87 -65.01 0.23 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.704 -0.76 . . . . 23.33 112.491 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-O 120.81 0.338 . . . . 53.24 110.832 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.257 0 N-CA-C 112.474 -0.25 . . . . 53.25 112.474 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . 0.424 ' O ' HG22 ' A' ' 12' ' ' VAL . . . -99.25 28.2 16.48 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.73 -0.748 . . . . 61.42 112.457 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.538 ' CA ' ' HA ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -119.57 39.79 3.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.86 0.362 . . . . 72.33 110.888 -179.896 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.0 mt -120.84 110.28 16.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 61.44 110.9 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.423 ' HA ' ' HA ' ' A' ' 10' ' ' PHE . 0.3 OUTLIER -45.26 -30.3 1.2 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 72.3 110.92 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -49.12 -53.38 21.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.102 -0.499 . . . . 64.44 110.891 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.5 mmm180 -113.16 -53.36 2.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 71.22 110.883 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.45 ' O ' ' C ' ' A' ' 10' ' ' PHE . 3.9 mtt85 -125.71 114.81 19.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 72.14 110.849 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.572 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 0.4 OUTLIER -34.44 148.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 73.43 110.866 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.769 HG22 ' O ' ' A' ' 11' ' ' VAL . 2.6 p -63.57 62.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.098 -0.501 . . . . 52.5 111.137 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.669 HG23 ' H ' ' A' ' 13' ' ' GLY . 3.0 m -61.56 -106.32 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 63.22 111.119 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.669 ' H ' HG23 ' A' ' 12' ' ' VAL . . . -127.72 -68.74 0.15 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.73 -0.748 . . . . 72.23 112.526 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 120.798 0.332 . . . . 74.34 110.875 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.528 -0.229 . . . . 61.53 112.528 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . 0.469 ' O ' HG22 ' A' ' 12' ' ' VAL . . . -97.04 23.89 33.7 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.752 -0.737 . . . . 51.33 112.488 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.529 ' CA ' ' HA ' ' A' ' 11' ' ' VAL . 0.7 OUTLIER -113.73 38.77 2.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.849 0.357 . . . . 74.33 110.868 -179.873 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.5 HD22 ' C ' ' A' ' 4' ' ' ARG . 4.3 mm? -120.65 109.52 15.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 71.3 110.896 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.435 ' HA ' ' HA ' ' A' ' 10' ' ' PHE . 0.3 OUTLIER -45.45 -30.32 1.35 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 73.55 110.965 179.939 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.4 mtt180 -48.76 -53.46 18.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.081 -0.509 . . . . 75.03 110.887 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 36.8 mtm180 -113.17 -52.65 2.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 73.41 110.907 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.446 ' O ' ' C ' ' A' ' 10' ' ' PHE . 54.4 mtt180 -126.06 114.89 19.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.48 . . . . 74.21 110.866 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.568 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 0.3 OUTLIER -34.28 148.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 71.23 110.913 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.768 HG22 ' O ' ' A' ' 11' ' ' VAL . 2.6 p -62.59 62.35 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 63.54 111.136 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.673 HG23 ' H ' ' A' ' 13' ' ' GLY . 3.1 m -62.76 -107.12 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 73.0 111.112 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.673 ' H ' HG23 ' A' ' 12' ' ' VAL . . . -128.14 -68.7 0.14 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.764 -0.732 . . . . 62.25 112.457 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-O 120.837 0.351 . . . . 74.45 110.914 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.472 -0.251 . . . . 51.41 112.472 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . 0.467 ' O ' HG22 ' A' ' 12' ' ' VAL . . . -56.18 -25.0 46.23 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.695 -0.764 . . . . 75.55 112.474 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.692 ' C ' ' HA ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -93.2 35.82 1.07 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.859 0.362 . . . . 73.33 110.902 -179.896 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 39.2 mt -126.29 107.15 10.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 71.2 110.924 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.439 ' H ' HG13 ' A' ' 11' ' ' VAL . 28.6 t80 -52.85 -18.2 1.78 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 74.4 110.941 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 6' ' ' TYR . 12.8 mtm180 -38.09 -42.33 0.65 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 74.41 110.885 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 14.0 mtt180 -112.3 -45.33 3.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 63.24 110.886 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -126.63 -105.18 0.33 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 75.32 110.861 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.614 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 1.6 t80 -139.03 147.33 41.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 75.13 110.911 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.692 ' HA ' ' C ' ' A' ' 4' ' ' ARG . 14.8 m -68.54 57.17 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.484 . . . . 65.22 111.154 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.635 HG23 ' H ' ' A' ' 13' ' ' GLY . 2.1 m -56.55 -104.72 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 72.34 111.155 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.635 ' H ' HG23 ' A' ' 12' ' ' VAL . . . -127.0 -61.39 0.14 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.732 -0.747 . . . . 62.42 112.495 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-O 120.818 0.342 . . . . 61.42 110.871 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.471 -0.252 . . . . 73.04 112.471 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . 0.477 ' O ' HG22 ' A' ' 12' ' ' VAL . . . -83.2 3.66 83.76 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.746 -0.74 . . . . 42.24 112.512 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.486 ' CA ' ' HA ' ' A' ' 11' ' ' VAL . 0.4 OUTLIER -115.69 40.12 2.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.907 0.384 . . . . 72.54 110.916 -179.883 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.2 mt -120.91 91.77 3.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 75.1 110.94 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -49.0 -25.19 1.83 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 53.43 110.937 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 25.7 mtt180 -45.62 -45.76 14.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 74.02 110.815 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 40.0 mtm180 -111.97 -37.82 4.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 74.22 110.839 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 71.5 mtp85 -125.83 -113.65 0.29 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 61.03 110.867 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.615 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 4.6 t80 -144.08 149.84 37.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 73.42 110.907 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.615 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 10.9 p -77.19 56.73 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 74.43 111.112 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.621 HG23 ' H ' ' A' ' 13' ' ' GLY . 14.6 m -76.36 -117.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 75.35 111.083 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.621 ' H ' HG23 ' A' ' 12' ' ' VAL . . . -121.26 -47.22 0.31 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.767 -0.73 . . . . 73.35 112.484 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 120.794 0.331 . . . . 73.12 110.885 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.826 0.346 . . . . 55.41 110.889 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -94.07 21.61 41.05 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.757 -0.735 . . . . 55.24 112.478 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -62.82 -18.4 59.49 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.79 -0.719 . . . . 71.23 112.51 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.717 ' C ' ' HA ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -103.43 36.24 2.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.811 0.339 . . . . 73.13 110.828 -179.835 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 12.3 mt -129.17 109.23 10.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 73.03 110.892 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.557 ' H ' HG13 ' A' ' 11' ' ' VAL . 9.2 t80 -56.42 -18.81 12.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 74.21 110.903 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 19.9 mtt85 -42.11 -42.4 2.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 74.51 110.895 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 15.8 mmt180 -113.32 -43.61 3.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 74.41 110.84 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 55.7 mtp180 -127.06 -104.48 0.33 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 71.1 110.899 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.596 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 4.9 t80 -141.35 150.05 41.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 70.24 110.887 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.717 ' HA ' ' C ' ' A' ' 4' ' ' ARG . 5.0 m -76.19 57.22 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 72.44 111.119 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.676 HG23 ' H ' ' A' ' 13' ' ' GLY . 3.7 m -73.63 -108.93 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 54.35 111.145 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.676 ' H ' HG23 ' A' ' 12' ' ' VAL . . . -121.96 -64.91 0.23 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.724 -0.75 . . . . 63.05 112.438 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 120.81 0.338 . . . . 71.21 110.882 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.801 0.334 . . . . 74.1 110.88 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.422 ' HA2' HD23 ' A' ' 5' ' ' LEU . . . -96.67 21.36 46.27 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.711 -0.757 . . . . 74.22 112.482 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -60.68 -18.69 53.12 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.76 -0.733 . . . . 64.24 112.507 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.723 ' C ' ' HA ' ' A' ' 11' ' ' VAL . 0.1 OUTLIER -102.94 36.07 2.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.844 0.354 . . . . 72.42 110.862 -179.829 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.64 HD22 ' C ' ' A' ' 4' ' ' ARG . 4.3 mm? -129.06 110.09 11.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 74.21 110.923 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.571 ' H ' HG13 ' A' ' 11' ' ' VAL . 9.2 t80 -57.22 -18.31 15.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 74.01 110.931 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.36 -42.72 3.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 71.41 110.873 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -113.28 -43.28 3.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 73.3 110.856 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 84.6 mtt180 -127.02 -104.74 0.33 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 72.5 110.858 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.594 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 4.8 t80 -141.3 150.19 42.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 74.54 110.874 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.723 ' HA ' ' C ' ' A' ' 4' ' ' ARG . 5.2 m -76.16 57.25 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 75.41 111.153 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.67 HG23 ' H ' ' A' ' 13' ' ' GLY . 3.7 m -73.6 -108.96 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.48 . . . . 71.33 111.162 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.67 ' H ' HG23 ' A' ' 12' ' ' VAL . . . -121.94 -64.94 0.23 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.756 -0.735 . . . . 72.14 112.521 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 120.842 0.354 . . . . 75.25 110.912 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 20.1 mtm180 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.824 0.345 . . . . 74.01 110.873 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -104.65 18.34 44.28 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.794 -0.717 . . . . 70.54 112.458 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -64.52 -16.74 61.26 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.772 -0.728 . . . . 62.43 112.483 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.741 ' C ' ' HA ' ' A' ' 11' ' ' VAL . 0.3 OUTLIER -103.52 36.25 2.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.869 0.366 . . . . 71.54 110.832 -179.816 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 12.9 mt -129.21 109.26 11.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 70.42 110.928 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.571 ' H ' HG13 ' A' ' 11' ' ' VAL . 6.8 t80 -56.43 -18.76 12.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 72.12 110.939 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 8.8 mmt180 -42.13 -42.5 2.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.488 . . . . 75.12 110.841 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 11.5 ptm180 -113.35 -43.51 3.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 61.33 110.838 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 30.1 mmt-85 -127.12 -104.57 0.33 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 71.44 110.853 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.589 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 4.9 t80 -141.3 150.05 42.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 71.53 110.873 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.741 ' HA ' ' C ' ' A' ' 4' ' ' ARG . 5.0 m -76.18 57.23 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 73.32 111.128 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.66 HG23 ' H ' ' A' ' 13' ' ' GLY . 3.8 m -73.73 -109.06 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 75.43 111.131 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.66 ' H ' HG23 ' A' ' 12' ' ' VAL . . . -121.96 -64.9 0.23 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.765 -0.731 . . . . 34.15 112.49 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 120.837 0.351 . . . . 61.45 110.831 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.9 mmt85 . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.881 0.372 . . . . 74.0 110.883 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -93.47 19.77 50.6 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.761 -0.733 . . . . 43.34 112.48 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -62.91 -18.15 59.41 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.791 -0.718 . . . . 74.04 112.489 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.739 ' C ' ' HA ' ' A' ' 11' ' ' VAL . 0.7 OUTLIER -103.44 36.23 2.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.913 0.387 . . . . 72.44 110.914 -179.859 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.41 HD23 ' O ' ' A' ' 4' ' ' ARG . 13.2 mt -129.17 109.21 10.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 74.14 110.908 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.572 ' H ' HG13 ' A' ' 11' ' ' VAL . 7.9 t80 -56.34 -18.91 12.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 71.24 110.917 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.08 -42.42 2.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.101 -0.5 . . . . 73.44 110.839 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 19.8 mtt-85 -113.3 -43.63 3.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 72.1 110.855 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.8 mtt180 -127.11 -104.47 0.33 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 51.44 110.844 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.594 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 4.8 t80 -141.33 150.11 42.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 73.41 110.911 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.739 ' HA ' ' C ' ' A' ' 4' ' ' ARG . 5.0 m -76.24 57.19 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 75.33 111.134 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.658 HG23 ' H ' ' A' ' 13' ' ' GLY . 3.8 m -73.65 -109.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 73.32 111.141 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.658 ' H ' HG23 ' A' ' 12' ' ' VAL . . . -121.91 -64.87 0.23 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.71 -0.757 . . . . 23.12 112.481 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-O 120.796 0.331 . . . . 72.13 110.899 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.811 0.339 . . . . 72.22 110.878 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -93.26 18.79 55.52 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.773 -0.727 . . . . 65.44 112.498 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -62.77 -17.9 58.62 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.741 -0.742 . . . . 71.01 112.473 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.725 ' C ' ' HA ' ' A' ' 11' ' ' VAL . 0.1 OUTLIER -103.85 36.44 2.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.841 0.353 . . . . 73.52 110.869 -179.868 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.4 mt -129.18 109.0 10.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 61.25 110.902 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.582 ' H ' HG13 ' A' ' 11' ' ' VAL . 8.6 t80 -56.43 -18.92 12.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 72.33 110.907 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 27.0 mtt180 -42.18 -42.47 3.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 71.42 110.908 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 69.0 mtt-85 -113.37 -43.38 3.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 71.03 110.883 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.5 mmm180 -127.1 -104.66 0.33 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 74.41 110.879 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.589 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 4.9 t80 -141.31 149.86 41.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 75.51 110.9 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.725 ' HA ' ' C ' ' A' ' 4' ' ' ARG . 4.9 m -76.29 57.12 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 71.45 111.16 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.678 HG23 ' H ' ' A' ' 13' ' ' GLY . 3.8 m -73.66 -108.94 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 65.21 111.168 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.678 ' H ' HG23 ' A' ' 12' ' ' VAL . . . -121.92 -64.73 0.23 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.727 -0.749 . . . . 61.11 112.5 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-O 120.764 0.316 . . . . 74.41 110.897 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 78.4 mtt180 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.867 0.365 . . . . 72.32 110.907 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -105.29 22.63 32.38 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.779 -0.724 . . . . 40.51 112.442 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -62.55 -18.27 58.54 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.769 -0.729 . . . . 44.45 112.502 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.737 ' C ' ' HA ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -103.78 36.39 2.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.857 0.36 . . . . 74.45 110.899 -179.882 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 12.1 mt -129.16 109.03 10.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 73.04 110.888 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.586 ' H ' HG13 ' A' ' 11' ' ' VAL . 9.2 t80 -56.41 -18.94 12.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 71.01 110.951 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.19 -42.43 3.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.104 -0.498 . . . . 73.55 110.865 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 11.7 ptp180 -113.38 -43.44 3.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 63.53 110.886 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -127.07 -104.6 0.33 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 74.45 110.888 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.597 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 4.9 t80 -141.39 149.92 41.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 54.15 110.868 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.737 ' HA ' ' C ' ' A' ' 4' ' ' ARG . 4.9 m -76.33 57.18 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 74.24 111.169 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.663 HG23 ' H ' ' A' ' 13' ' ' GLY . 3.7 m -73.65 -108.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.141 -0.481 . . . . 72.42 111.173 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.663 ' H ' HG23 ' A' ' 12' ' ' VAL . . . -121.9 -64.77 0.23 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.738 -0.744 . . . . 61.3 112.474 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-O 120.845 0.355 . . . . 72.34 110.894 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 6.4 mmt-85 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.865 0.364 . . . . 75.22 110.884 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.626 ' HA2' HD13 ' A' ' 5' ' ' LEU . . . -110.93 33.72 5.73 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.747 -0.74 . . . . 54.11 112.5 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -66.99 -18.43 68.82 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.692 -0.766 . . . . 64.23 112.488 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.73 ' C ' ' HA ' ' A' ' 11' ' ' VAL . 0.4 OUTLIER -103.69 36.54 2.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.884 0.373 . . . . 74.14 110.884 -179.888 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.626 HD13 ' HA2' ' A' ' 2' ' ' GLY . 7.5 mp -129.24 109.3 11.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 74.14 110.909 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.585 ' H ' HG13 ' A' ' 11' ' ' VAL . 5.6 t80 -56.93 -18.59 13.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 71.32 110.931 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -42.39 -42.59 3.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 74.33 110.861 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 30.0 mtt180 -113.38 -43.18 3.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 70.51 110.911 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -127.11 -104.68 0.33 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 61.5 110.888 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.594 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 4.9 t80 -141.37 149.76 41.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 71.52 110.852 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.73 ' HA ' ' C ' ' A' ' 4' ' ' ARG . 4.4 m -76.32 57.22 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 51.43 111.143 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.676 HG23 ' H ' ' A' ' 13' ' ' GLY . 3.7 m -73.64 -108.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 62.11 111.124 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.676 ' H ' HG23 ' A' ' 12' ' ' VAL . . . -121.89 -64.88 0.23 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.773 -0.727 . . . . 54.34 112.464 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.275 0 CA-C-O 120.807 0.336 . . . . 71.54 110.858 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 5.4 mmt180 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.842 0.353 . . . . 73.32 110.867 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.41 ' HA2' HD23 ' A' ' 5' ' ' LEU . . . -101.83 25.88 26.36 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.707 -0.759 . . . . 72.5 112.451 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -64.9 -18.41 64.3 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.786 -0.721 . . . . 62.41 112.432 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.727 ' C ' ' HA ' ' A' ' 11' ' ' VAL . 0.4 OUTLIER -103.3 36.32 2.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.892 0.377 . . . . 71.12 110.89 -179.863 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.655 HD22 ' C ' ' A' ' 4' ' ' ARG . 4.3 mm? -129.09 109.82 11.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 70.4 110.917 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.561 ' H ' HG13 ' A' ' 11' ' ' VAL . 8.4 t80 -57.39 -18.19 16.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 65.13 110.934 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -42.59 -42.77 3.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 74.4 110.814 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.1 ptp180 -113.29 -43.09 3.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 74.5 110.857 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -127.11 -104.84 0.33 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 73.45 110.834 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.59 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 4.9 t80 -141.38 149.9 41.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 72.23 110.871 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.727 ' HA ' ' C ' ' A' ' 4' ' ' ARG . 4.9 m -76.21 57.26 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 73.31 111.128 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.674 HG23 ' H ' ' A' ' 13' ' ' GLY . 3.7 m -73.71 -108.98 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 75.02 111.066 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.674 ' H ' HG23 ' A' ' 12' ' ' VAL . . . -121.93 -64.83 0.23 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.724 -0.75 . . . . 54.25 112.493 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-O 120.829 0.347 . . . . 73.3 110.869 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.886 0.374 . . . . 71.24 110.886 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -120.17 40.04 2.3 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.746 -0.74 . . . . 74.14 112.437 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -95.47 -4.59 60.75 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.744 -0.741 . . . . 51.4 112.462 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.735 ' C ' ' HA ' ' A' ' 11' ' ' VAL . 1.6 ptm180 -106.97 36.25 2.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.855 0.36 . . . . 71.4 110.857 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.558 ' O ' HD12 ' A' ' 5' ' ' LEU . 1.1 pp -129.66 109.53 11.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 73.43 110.916 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.573 ' H ' HG13 ' A' ' 11' ' ' VAL . 6.2 t80 -56.5 -18.85 12.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 75.13 110.949 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.41 -42.7 3.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 74.21 110.889 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.9 mtp180 -113.24 -43.59 3.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 64.42 110.867 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 28.3 mmt180 -126.94 -104.61 0.33 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 73.13 110.88 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.601 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 5.5 t80 -141.84 149.95 40.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.458 . . . . 74.01 110.844 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.735 ' HA ' ' C ' ' A' ' 4' ' ' ARG . 5.7 m -76.4 56.8 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 73.43 111.134 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.622 HG23 ' H ' ' A' ' 13' ' ' GLY . 7.7 m -75.74 -114.39 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 75.43 111.117 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.622 ' H ' HG23 ' A' ' 12' ' ' VAL . . . -122.2 -54.26 0.21 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.731 -0.747 . . . . 60.52 112.504 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-O 120.786 0.327 . . . . 63.32 110.818 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 9.0 mtt180 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.867 0.365 . . . . 73.11 110.887 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -111.26 29.4 8.78 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.752 -0.737 . . . . 61.12 112.472 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -72.39 -8.28 70.45 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.698 -0.763 . . . . 50.24 112.514 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.736 ' C ' ' HA ' ' A' ' 11' ' ' VAL . 0.3 OUTLIER -104.73 36.01 2.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.863 0.363 . . . . 64.21 110.879 -179.845 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.447 HD23 ' O ' ' A' ' 4' ' ' ARG . 14.0 mt -129.35 109.45 11.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 74.52 110.892 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.572 ' H ' HG13 ' A' ' 11' ' ' VAL . 8.1 t80 -56.73 -18.5 12.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 71.1 110.912 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 5.7 mtt-85 -42.19 -42.66 3.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.483 . . . . 74.55 110.903 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 25.7 mtt180 -113.23 -43.45 3.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 74.43 110.894 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 40.2 mtp180 -127.02 -104.57 0.33 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 72.51 110.844 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.593 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 5.2 t80 -141.4 150.1 41.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 54.22 110.853 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.736 ' HA ' ' C ' ' A' ' 4' ' ' ARG . 5.2 m -76.2 57.0 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 75.25 111.117 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.61 HG23 ' H ' ' A' ' 13' ' ' GLY . 7.2 m -75.56 -114.33 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 63.54 111.147 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.61 ' H ' HG23 ' A' ' 12' ' ' VAL . . . -122.86 -51.95 0.21 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.709 -0.758 . . . . 51.43 112.462 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-O 120.797 0.332 . . . . 65.12 110.877 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 5.5 mmt180 . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 120.827 0.346 . . . . 72.43 110.853 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.492 ' CA ' HD21 ' A' ' 5' ' ' LEU . . . -120.13 40.12 2.28 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.711 -0.756 . . . . 74.35 112.528 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.42 ' O ' HG22 ' A' ' 12' ' ' VAL . . . -101.88 1.46 51.92 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.713 -0.755 . . . . 53.02 112.499 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.707 ' C ' ' HA ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -107.78 35.43 3.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.88 0.371 . . . . 72.31 110.937 -179.934 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.509 HD12 ' HG2' ' A' ' 8' ' ' ARG . 0.3 OUTLIER -129.53 110.16 11.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 65.15 110.922 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.572 ' H ' HG13 ' A' ' 11' ' ' VAL . 9.8 t80 -57.34 -18.0 15.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 73.52 110.862 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.74 -43.62 4.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 75.51 110.874 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.509 ' HG2' HD12 ' A' ' 5' ' ' LEU . 16.4 ptp180 -113.19 -42.44 3.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 74.1 110.856 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.3 mmm-85 -126.9 -105.6 0.32 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 73.43 110.915 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.591 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 5.6 t80 -142.08 149.81 40.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 72.45 110.836 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.707 ' HA ' ' C ' ' A' ' 4' ' ' ARG . 6.6 m -76.53 56.76 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.106 -0.497 . . . . 74.22 111.12 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.613 HG23 ' H ' ' A' ' 13' ' ' GLY . 11.4 m -75.35 -116.14 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 72.35 111.109 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.613 ' H ' HG23 ' A' ' 12' ' ' VAL . . . -122.37 -50.9 0.23 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.7 -0.762 . . . . 75.2 112.465 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 CA-C-O 120.772 0.32 . . . . 75.43 110.832 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.893 0.377 . . . . 64.41 110.881 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -118.93 38.97 2.68 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.785 -0.722 . . . . 42.1 112.519 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.426 ' O ' HG22 ' A' ' 12' ' ' VAL . . . -99.34 28.26 16.22 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.786 -0.721 . . . . 54.01 112.493 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.543 ' CA ' ' HA ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -119.68 39.28 3.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.849 0.356 . . . . 71.42 110.884 -179.879 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.5 HD22 ' C ' ' A' ' 4' ' ' ARG . 4.3 mm? -120.9 109.86 15.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 75.21 110.881 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -44.33 -31.58 1.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 71.23 110.914 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.4 -52.54 21.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 75.23 110.864 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 15.8 mtm180 -113.19 -54.79 2.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 75.04 110.857 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.449 ' O ' ' C ' ' A' ' 10' ' ' PHE . 36.9 mmm-85 -125.49 115.72 20.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 74.03 110.856 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.569 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 0.4 OUTLIER -34.5 148.23 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 63.22 110.913 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.764 HG22 ' O ' ' A' ' 11' ' ' VAL . 2.6 p -63.51 61.89 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 64.02 111.141 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.651 HG23 ' H ' ' A' ' 13' ' ' GLY . 2.9 m -61.54 -106.21 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 75.3 111.096 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.651 ' H ' HG23 ' A' ' 12' ' ' VAL . . . -127.84 -68.81 0.14 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.688 -0.768 . . . . 34.25 112.495 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-O 120.787 0.327 . . . . 74.23 110.857 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.458 -0.067 0 CA-C-O 120.894 0.378 . . . . 71.13 110.914 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -119.92 39.48 2.46 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.758 -0.734 . . . . 73.22 112.495 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.431 ' O ' HG22 ' A' ' 12' ' ' VAL . . . -97.72 27.32 19.45 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.708 -0.758 . . . . 64.24 112.527 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.542 ' CA ' ' HA ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -119.52 39.46 3.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.822 0.344 . . . . 75.43 110.882 -179.878 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.4 mt -120.83 108.78 14.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 74.51 110.924 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -43.47 -32.52 0.9 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 74.24 110.905 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 26.7 mtp85 -47.98 -52.08 21.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.105 -0.498 . . . . 75.02 110.892 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 22.9 mtm180 -113.26 -55.03 2.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 65.25 110.881 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.446 ' O ' ' C ' ' A' ' 10' ' ' PHE . 0.3 OUTLIER -125.4 115.86 20.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 73.44 110.878 -179.931 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.575 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 0.4 OUTLIER -34.39 148.2 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 44.44 110.891 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.74 HG22 ' O ' ' A' ' 11' ' ' VAL . 2.6 p -63.64 61.83 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 75.41 111.113 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.665 HG23 ' H ' ' A' ' 13' ' ' GLY . 2.9 m -61.42 -106.26 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 62.53 111.133 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.665 ' H ' HG23 ' A' ' 12' ' ' VAL . . . -127.75 -68.87 0.15 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.733 -0.746 . . . . 53.51 112.491 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-O 120.812 0.339 . . . . 74.23 110.905 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.841 0.353 . . . . 74.03 110.955 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.608 ' HA2' HD13 ' A' ' 5' ' ' LEU . . . -112.67 35.42 4.62 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.747 -0.74 . . . . 33.12 112.494 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -70.22 -17.77 74.34 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.711 -0.757 . . . . 72.35 112.469 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.724 ' C ' ' HA ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -102.96 35.61 2.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.837 0.351 . . . . 75.31 110.844 -179.823 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.608 HD13 ' HA2' ' A' ' 2' ' ' GLY . 7.1 mp -129.53 108.84 10.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.452 . . . . 71.22 110.882 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.58 ' H ' HG13 ' A' ' 11' ' ' VAL . 5.1 t80 -54.19 -20.59 7.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 74.23 110.93 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -42.15 -39.09 1.9 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 73.43 110.89 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 11.6 mmt180 -112.92 -48.5 2.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 71.41 110.886 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.52 -99.4 0.39 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 64.23 110.877 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.604 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 4.9 t80 -143.1 150.64 39.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 74.22 110.868 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.724 ' HA ' ' C ' ' A' ' 4' ' ' ARG . 4.4 m -76.17 57.13 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 74.43 111.116 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.653 HG23 ' H ' ' A' ' 13' ' ' GLY . 3.8 m -73.43 -109.17 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 63.04 111.142 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.653 ' H ' HG23 ' A' ' 12' ' ' VAL . . . -121.82 -65.1 0.23 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.767 -0.73 . . . . 63.52 112.523 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-O 120.759 0.314 . . . . 64.34 110.901 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 5.1 ptt180 . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.872 0.368 . . . . 62.22 110.879 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -100.61 18.92 54.41 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.769 -0.729 . . . . 35.35 112.474 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -62.35 -18.25 57.93 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.705 -0.759 . . . . 74.53 112.477 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.736 ' C ' ' HA ' ' A' ' 11' ' ' VAL . 0.2 OUTLIER -103.68 35.96 2.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.867 0.365 . . . . 74.45 110.868 -179.878 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 13.9 mt -129.54 108.0 9.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.465 . . . . 65.54 110.886 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.605 ' H ' HG13 ' A' ' 11' ' ' VAL . 3.4 t80 -53.69 -21.07 6.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.167 -0.47 . . . . 74.44 110.902 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 21.1 mtt180 -42.09 -39.03 1.83 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 73.35 110.854 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.5 mtm180 -113.0 -48.4 2.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 65.53 110.891 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.64 -99.52 0.38 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 70.44 110.858 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.6 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 5.0 t80 -143.07 150.22 39.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 70.1 110.883 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.736 ' HA ' ' C ' ' A' ' 4' ' ' ARG . 4.1 m -76.21 57.02 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 71.3 111.154 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.666 HG23 ' H ' ' A' ' 13' ' ' GLY . 3.7 m -73.43 -109.09 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 72.43 111.121 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.666 ' H ' HG23 ' A' ' 12' ' ' VAL . . . -121.77 -64.91 0.23 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.752 -0.737 . . . . 71.44 112.502 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-O 120.831 0.348 . . . . 74.43 110.886 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 40.1 mtt180 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.811 0.339 . . . . 74.55 110.898 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -97.6 19.4 54.81 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.714 -0.755 . . . . 71.53 112.469 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -61.33 -18.66 56.05 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.745 -0.741 . . . . 70.33 112.486 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.738 ' C ' ' HA ' ' A' ' 11' ' ' VAL . 0.2 OUTLIER -102.99 35.82 2.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.798 0.332 . . . . 71.44 110.857 -179.861 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.407 HD23 ' O ' ' A' ' 4' ' ' ARG . 18.7 mt -129.44 108.74 10.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 75.4 110.88 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.57 ' H ' HG13 ' A' ' 11' ' ' VAL . 5.7 t80 -55.14 -19.7 8.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 71.43 110.937 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.28 -39.72 2.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.105 -0.498 . . . . 74.21 110.904 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.95 -45.95 3.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 75.21 110.873 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -127.16 -101.28 0.36 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 75.23 110.871 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.598 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 4.9 t80 -142.6 150.37 40.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 63.23 110.872 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.738 ' HA ' ' C ' ' A' ' 4' ' ' ARG . 4.6 m -76.27 57.11 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 74.33 111.117 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.658 HG23 ' H ' ' A' ' 13' ' ' GLY . 3.8 m -73.46 -109.12 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 62.24 111.132 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.658 ' H ' HG23 ' A' ' 12' ' ' VAL . . . -121.87 -65.01 0.23 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.704 -0.76 . . . . 23.33 112.491 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-O 120.81 0.338 . . . . 53.24 110.832 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 3.1 mtt180 . . . . . 0 N--CA 1.458 -0.063 0 CA-C-O 120.848 0.356 . . . . 73.15 110.868 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -118.27 38.59 2.85 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.709 -0.758 . . . . 53.25 112.474 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.424 ' O ' HG22 ' A' ' 12' ' ' VAL . . . -99.25 28.2 16.48 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.73 -0.748 . . . . 61.42 112.457 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.538 ' CA ' ' HA ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -119.57 39.79 3.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.86 0.362 . . . . 72.33 110.888 -179.896 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.0 mt -120.84 110.28 16.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 61.44 110.9 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.423 ' HA ' ' HA ' ' A' ' 10' ' ' PHE . 0.3 OUTLIER -45.26 -30.3 1.2 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 72.3 110.92 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -49.12 -53.38 21.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.102 -0.499 . . . . 64.44 110.891 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.5 mmm180 -113.16 -53.36 2.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 71.22 110.883 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.45 ' O ' ' C ' ' A' ' 10' ' ' PHE . 3.9 mtt85 -125.71 114.81 19.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 72.14 110.849 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.572 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 0.4 OUTLIER -34.44 148.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 73.43 110.866 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.769 HG22 ' O ' ' A' ' 11' ' ' VAL . 2.6 p -63.57 62.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.098 -0.501 . . . . 52.5 111.137 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.669 HG23 ' H ' ' A' ' 13' ' ' GLY . 3.0 m -61.56 -106.32 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 63.22 111.119 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.669 ' H ' HG23 ' A' ' 12' ' ' VAL . . . -127.72 -68.74 0.15 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.73 -0.748 . . . . 72.23 112.526 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 120.798 0.332 . . . . 74.34 110.875 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.089 0 CA-C-O 120.839 0.352 . . . . 75.34 110.833 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -118.37 35.11 4.14 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.76 -0.733 . . . . 61.53 112.528 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.469 ' O ' HG22 ' A' ' 12' ' ' VAL . . . -97.04 23.89 33.7 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.752 -0.737 . . . . 51.33 112.488 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.529 ' CA ' ' HA ' ' A' ' 11' ' ' VAL . 0.7 OUTLIER -113.73 38.77 2.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.849 0.357 . . . . 74.33 110.868 -179.873 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.5 HD22 ' C ' ' A' ' 4' ' ' ARG . 4.3 mm? -120.65 109.52 15.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 71.3 110.896 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.435 ' HA ' ' HA ' ' A' ' 10' ' ' PHE . 0.3 OUTLIER -45.45 -30.32 1.35 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 73.55 110.965 179.939 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.4 mtt180 -48.76 -53.46 18.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.081 -0.509 . . . . 75.03 110.887 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 36.8 mtm180 -113.17 -52.65 2.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 73.41 110.907 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.446 ' O ' ' C ' ' A' ' 10' ' ' PHE . 54.4 mtt180 -126.06 114.89 19.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.48 . . . . 74.21 110.866 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.568 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 0.3 OUTLIER -34.28 148.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 71.23 110.913 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.768 HG22 ' O ' ' A' ' 11' ' ' VAL . 2.6 p -62.59 62.35 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 63.54 111.136 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.673 HG23 ' H ' ' A' ' 13' ' ' GLY . 3.1 m -62.76 -107.12 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 73.0 111.112 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.673 ' H ' HG23 ' A' ' 12' ' ' VAL . . . -128.14 -68.7 0.14 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.764 -0.732 . . . . 62.25 112.457 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-O 120.837 0.351 . . . . 74.45 110.914 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.876 0.37 . . . . 74.45 110.898 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -114.43 36.12 4.12 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.757 -0.735 . . . . 51.41 112.472 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.467 ' O ' HG22 ' A' ' 12' ' ' VAL . . . -56.18 -25.0 46.23 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.695 -0.764 . . . . 75.55 112.474 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.692 ' C ' ' HA ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -93.2 35.82 1.07 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.859 0.362 . . . . 73.33 110.902 -179.896 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 39.2 mt -126.29 107.15 10.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 71.2 110.924 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.439 ' H ' HG13 ' A' ' 11' ' ' VAL . 28.6 t80 -52.85 -18.2 1.78 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 74.4 110.941 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 6' ' ' TYR . 12.8 mtm180 -38.09 -42.33 0.65 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 74.41 110.885 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 14.0 mtt180 -112.3 -45.33 3.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 63.24 110.886 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -126.63 -105.18 0.33 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 75.32 110.861 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.614 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 1.6 t80 -139.03 147.33 41.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 75.13 110.911 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.692 ' HA ' ' C ' ' A' ' 4' ' ' ARG . 14.8 m -68.54 57.17 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.484 . . . . 65.22 111.154 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.635 HG23 ' H ' ' A' ' 13' ' ' GLY . 2.1 m -56.55 -104.72 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 72.34 111.155 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.635 ' H ' HG23 ' A' ' 12' ' ' VAL . . . -127.0 -61.39 0.14 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.732 -0.747 . . . . 62.42 112.495 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-O 120.818 0.342 . . . . 61.42 110.871 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.4 ptt180 . . . . . 0 N--CA 1.458 -0.066 0 CA-C-O 120.857 0.361 . . . . 63.42 110.897 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -108.04 21.26 29.7 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.761 -0.733 . . . . 73.04 112.471 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.477 ' O ' HG22 ' A' ' 12' ' ' VAL . . . -83.2 3.66 83.76 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.746 -0.74 . . . . 42.24 112.512 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.486 ' CA ' ' HA ' ' A' ' 11' ' ' VAL . 0.4 OUTLIER -115.69 40.12 2.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.907 0.384 . . . . 72.54 110.916 -179.883 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.2 mt -120.91 91.77 3.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 75.1 110.94 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -49.0 -25.19 1.83 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 53.43 110.937 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 25.7 mtt180 -45.62 -45.76 14.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 74.02 110.815 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 40.0 mtm180 -111.97 -37.82 4.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 74.22 110.839 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 71.5 mtp85 -125.83 -113.65 0.29 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 61.03 110.867 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.615 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 4.6 t80 -144.08 149.84 37.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 73.42 110.907 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.615 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 10.9 p -77.19 56.73 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 74.43 111.112 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.621 HG23 ' H ' ' A' ' 13' ' ' GLY . 14.6 m -76.36 -117.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 75.35 111.083 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.621 ' H ' HG23 ' A' ' 12' ' ' VAL . . . -121.26 -47.22 0.31 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.767 -0.73 . . . . 73.35 112.484 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 120.794 0.331 . . . . 73.12 110.885 -179.869 . . . . . . . . 1 1 . 1 stop_ save_