data_2lws_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 2lws _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.521 -0.232 . . . . 72.23 112.521 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 m -90.97 46.06 1.29 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.941 0.401 . . . . 64.31 110.861 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 t -51.81 133.84 31.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 72.11 110.978 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -150.1 79.8 1.36 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.195 -0.457 . . . . 70.42 110.933 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 52.97 -106.54 0.41 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.65 -0.786 . . . . 55.34 112.554 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.9 -15.96 57.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.898 0.38 . . . . 73.45 111.181 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -109.85 35.81 3.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 74.21 110.95 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.3 t -92.51 16.2 12.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.103 -0.499 . . . . 70.21 110.955 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -133.34 72.92 1.49 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.184 -0.462 . . . . 72.33 110.881 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.7 mtp180 -150.14 166.72 28.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.224 -0.444 . . . . 62.44 110.894 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.4 mmt180 -91.45 67.67 5.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 71.15 110.86 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 73.42 110.906 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.394 -0.282 . . . . 73.24 112.394 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 m -90.94 46.14 1.3 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.917 0.389 . . . . 74.24 110.84 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 t -52.51 133.82 35.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.102 -0.499 . . . . 73.35 110.892 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -149.97 79.99 1.37 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 74.35 110.971 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 52.9 -106.68 0.43 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.828 -0.701 . . . . 55.51 112.464 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.76 -16.1 56.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.857 0.36 . . . . 60.53 111.135 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -109.74 35.95 3.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.189 -0.46 . . . . 71.3 110.921 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.4 t -92.57 16.13 12.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.06 -0.518 . . . . 61.04 110.83 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -131.89 68.39 1.5 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 73.33 110.916 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -145.71 158.33 43.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.02 -0.537 . . . . 75.35 110.864 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.0 mtt-85 -85.29 65.29 9.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 75.25 110.886 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.105 -0.498 . . . . 65.25 110.876 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 N-CA-C 112.434 -0.267 . . . . 71.51 112.434 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.4 m -90.95 46.02 1.29 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.878 0.37 . . . . 74.04 110.824 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 t -52.78 133.93 36.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 72.32 110.918 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -150.11 79.83 1.36 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 72.21 110.857 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 52.84 -106.46 0.4 Allowed Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.8 -0.714 . . . . 61.23 112.507 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.9 -16.01 57.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.773 0.321 . . . . 62.23 111.17 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -109.8 35.84 3.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 74.23 110.865 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.3 t -92.51 16.13 12.62 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.156 -0.475 . . . . 63.25 110.951 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -129.84 67.63 1.45 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.117 -0.492 . . . . 74.5 110.901 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 38.9 mtt180 -144.62 155.4 43.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 75.32 110.851 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -84.07 55.05 3.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 74.22 110.961 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 74.42 110.847 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.499 -0.24 . . . . 65.22 112.499 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 m -91.04 45.97 1.29 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.979 0.419 . . . . 74.01 110.871 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 t -53.61 133.91 41.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.139 -0.482 . . . . 74.54 110.928 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -150.15 79.77 1.36 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 71.44 111.033 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 52.92 -106.35 0.39 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.775 -0.726 . . . . 71.14 112.559 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.97 -16.03 58.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.771 0.32 . . . . 73.53 111.062 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -109.83 35.9 3.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.261 -0.427 . . . . 73.54 110.832 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.3 t -92.54 16.16 12.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 75.01 110.961 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -128.97 67.46 1.41 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.182 -0.463 . . . . 63.42 110.922 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.7 mmt85 -144.85 153.24 41.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 72.15 110.815 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -83.19 56.05 3.37 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.098 -0.501 . . . . 74.24 110.889 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.234 0.268 0 CA-C-N 116.145 -0.48 . . . . 61.44 110.793 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.199 0 N-CA-C 112.436 -0.266 . . . . 63.23 112.436 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 m -90.73 45.74 1.28 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.862 0.363 . . . . 65.54 110.921 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 t -51.81 133.96 31.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.088 -0.506 . . . . 72.13 110.917 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -150.16 79.88 1.36 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 71.24 110.918 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 53.01 -106.63 0.43 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.739 -0.743 . . . . 72.34 112.449 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.86 -16.02 56.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.822 0.344 . . . . 62.43 111.169 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -109.66 35.77 3.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 74.34 110.918 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.2 t -92.43 16.09 12.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 73.14 110.954 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -129.49 68.83 1.42 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.121 -0.49 . . . . 75.32 110.866 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 37.5 mtp180 -143.87 161.85 37.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 74.31 110.849 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.1 tpt180 -90.38 48.02 1.5 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.19 -0.459 . . . . 73.22 110.844 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 72.41 110.876 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.468 -0.253 . . . . 73.35 112.468 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 m -90.87 45.97 1.29 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.858 0.361 . . . . 74.13 110.843 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 t -53.78 133.88 42.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 74.25 110.899 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -150.1 79.87 1.36 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 73.03 110.789 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 52.96 -106.46 0.4 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.89 -0.672 . . . . 62.2 112.403 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.02 -15.92 58.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.813 0.339 . . . . 75.4 111.064 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -109.79 35.84 3.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.475 . . . . 75.31 110.892 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.3 t -92.59 16.31 12.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 75.22 110.914 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -129.51 70.53 1.42 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 74.42 110.884 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 74.3 mtp180 -148.37 155.91 41.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.489 . . . . 73.41 110.807 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 79.7 mtt180 -85.05 57.02 4.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 73.23 110.796 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.245 -0.434 . . . . 71.2 110.888 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.53 -0.228 . . . . 72.14 112.53 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 m -90.91 45.98 1.29 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.986 0.422 . . . . 73.33 110.965 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 t -55.55 133.88 50.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.983 -0.553 . . . . 75.23 110.855 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -150.14 79.87 1.36 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.173 -0.467 . . . . 74.04 110.839 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 52.87 -106.46 0.4 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.74 -0.743 . . . . 72.25 112.501 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.91 -16.08 57.76 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.799 0.333 . . . . 62.45 111.049 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -109.84 35.92 3.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 75.11 110.889 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.4 t -92.63 16.22 12.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 71.43 110.892 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -127.78 68.39 1.32 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.073 -0.512 . . . . 70.53 110.832 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 24.9 mtp180 -146.84 148.95 32.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.134 -0.484 . . . . 74.53 110.849 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.1 mtp180 -80.63 58.37 3.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 73.45 110.854 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 74.35 110.743 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.53 -0.228 . . . . 73.21 112.53 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 m -90.85 45.94 1.29 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.943 0.402 . . . . 70.44 110.894 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 t -55.39 133.92 50.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.177 -0.465 . . . . 65.32 110.976 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -150.17 80.0 1.36 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.315 -0.402 . . . . 73.15 110.897 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 52.84 -106.6 0.41 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.769 -0.729 . . . . 64.34 112.581 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.94 -15.95 57.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.911 0.386 . . . . 73.41 111.122 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -109.77 35.96 3.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 73.03 110.887 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.3 t -92.7 16.27 12.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 72.24 110.822 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -126.61 68.49 1.24 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 71.41 110.842 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -144.63 155.63 43.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 72.3 110.89 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.9 mtm180 -87.84 51.36 2.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 75.1 110.797 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.268 -0.424 . . . . 71.23 110.871 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.427 0 N-CA-C 112.444 -0.262 . . . . 75.24 112.444 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 m -90.98 46.04 1.29 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.949 0.404 . . . . 75.13 110.901 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 t -57.4 133.89 55.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.005 -0.543 . . . . 74.44 110.883 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -150.12 79.93 1.36 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 71.31 110.91 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 53.03 -106.6 0.43 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.671 -0.776 . . . . 74.15 112.499 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.95 -15.96 57.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.774 0.321 . . . . 72.11 111.096 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -109.75 35.84 3.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 61.01 110.878 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.3 t -92.59 16.15 12.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 74.44 110.84 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -125.2 64.78 1.14 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 74.21 110.854 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 22.9 mtm180 -142.17 147.59 36.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 73.13 110.927 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 23.8 ttm180 -82.23 56.78 3.32 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.187 -0.461 . . . . 73.34 110.863 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.327 -0.395 0 CA-C-N 116.222 -0.445 . . . . 71.32 110.934 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.236 0 N-CA-C 112.474 -0.25 . . . . 71.41 112.474 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 m -90.93 46.05 1.3 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.926 0.393 . . . . 75.43 110.89 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 t -54.87 133.77 48.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.084 -0.507 . . . . 75.42 110.905 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -150.18 80.01 1.36 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 64.11 110.83 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 53.09 -106.7 0.44 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.728 -0.749 . . . . 74.13 112.443 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.94 -16.08 58.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.765 0.317 . . . . 62.23 111.028 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -109.73 35.88 3.18 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.299 -0.409 . . . . 72.34 110.892 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.5 t -92.57 16.33 12.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 71.13 110.907 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -130.4 65.19 1.53 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.119 -0.492 . . . . 74.51 110.839 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.1 mtp85 -140.07 161.37 37.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 72.43 111.007 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.67 70.65 6.72 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.244 -0.435 . . . . 74.42 110.829 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 72.11 110.953 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.242 0 N-CA-C 112.503 -0.239 . . . . 40.54 112.503 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 m -90.88 45.87 1.28 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.887 0.375 . . . . 70.41 110.877 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 t -63.8 133.71 53.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 65.13 110.931 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -150.16 80.0 1.36 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.196 -0.456 . . . . 73.23 110.818 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 53.01 -106.58 0.42 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.716 -0.754 . . . . 75.33 112.452 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.04 -15.82 57.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.731 0.3 . . . . 64.51 111.126 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -110.02 35.97 3.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 75.41 110.828 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.5 t -92.56 16.25 12.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 63.21 110.845 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 54.6 m-85 -119.89 66.3 0.81 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 65.41 110.875 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 38.6 mtp180 -144.27 145.57 32.1 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.17 -0.468 . . . . 74.51 110.87 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.3 mtp180 -86.04 58.69 5.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 74.21 110.826 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.155 -0.475 . . . . 64.54 110.796 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.521 -0.232 . . . . 62.41 112.521 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.4 m -91.02 45.95 1.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.849 0.356 . . . . 72.52 110.757 -179.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 t -55.69 133.68 50.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.244 -0.435 . . . . 62.13 111.001 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -150.11 79.95 1.36 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.438 . . . . 74.41 110.914 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 52.93 -106.56 0.42 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.707 -0.758 . . . . 74.32 112.507 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.0 -15.82 57.7 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.798 0.332 . . . . 62.52 111.086 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -110.07 35.87 3.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.309 -0.405 . . . . 72.1 110.833 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.5 t -92.51 16.33 12.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 74.44 110.872 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -127.39 64.06 1.34 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 74.22 110.829 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.5 mtp180 -135.3 165.06 26.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.081 -0.509 . . . . 72.15 110.891 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.9 mmm-85 -97.48 56.62 1.33 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 71.23 110.822 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 116.219 -0.446 . . . . 64.24 110.886 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 N-CA-C 112.425 -0.27 . . . . 74.32 112.425 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 m -90.98 46.04 1.29 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.979 0.418 . . . . 44.24 110.846 -179.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 t -61.22 133.7 56.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.082 -0.508 . . . . 72.31 110.873 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -150.14 79.92 1.36 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.057 -0.519 . . . . 73.32 110.83 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 52.83 -106.34 0.38 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.653 -0.784 . . . . 71.24 112.543 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.04 -15.88 57.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.845 0.355 . . . . 71.21 111.154 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -110.15 36.03 3.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 74.25 110.834 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.6 t -92.55 16.24 12.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 74.33 110.888 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -120.79 63.85 0.86 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.097 -0.501 . . . . 75.54 110.911 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 81.6 mtt180 -138.04 153.28 49.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.267 -0.424 . . . . 73.43 110.815 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -92.01 50.22 1.64 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.078 -0.51 . . . . 71.52 110.783 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 74.23 110.882 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.463 -0.255 . . . . 75.54 112.463 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 m -90.91 45.95 1.29 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.848 0.356 . . . . 74.51 110.822 -179.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 t -59.57 133.75 56.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 74.4 110.857 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -150.08 79.73 1.36 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.114 -0.494 . . . . 73.51 110.924 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 53.01 -106.52 0.42 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.854 -0.688 . . . . 75.33 112.401 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.05 -15.89 58.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.788 0.328 . . . . 72.14 111.15 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -109.94 35.88 3.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.125 -0.489 . . . . 75.52 110.863 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.5 t -92.37 16.2 12.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.083 -0.508 . . . . 64.2 110.894 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -123.26 66.48 0.99 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 73.55 110.873 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -139.55 159.61 41.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.138 -0.483 . . . . 73.12 110.825 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -95.75 53.12 1.4 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 75.01 110.904 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 74.21 110.875 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.502 -0.239 . . . . 71.24 112.502 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 m -90.95 45.92 1.29 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.946 0.403 . . . . 75.31 110.9 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 t -59.86 133.71 56.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.495 . . . . 74.05 110.811 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -150.1 79.63 1.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 75.05 110.858 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 52.91 -106.21 0.37 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.779 -0.724 . . . . 65.32 112.537 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.12 -15.82 57.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.829 0.347 . . . . 72.21 111.136 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -110.09 35.73 3.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 62.45 110.919 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.5 t -92.36 16.19 12.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 75.42 110.941 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -120.56 64.49 0.84 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 72.23 110.885 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 22.7 mmm-85 -137.03 158.79 43.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 74.45 110.928 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -96.35 39.97 1.14 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 72.42 110.85 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.428 . . . . 61.45 110.911 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.381 0 N-CA-C 112.533 -0.227 . . . . 72.04 112.533 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.01 41.62 1.07 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.955 0.407 . . . . 75.42 110.84 -179.679 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 t -56.3 133.82 52.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.087 -0.506 . . . . 63.13 110.84 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -150.24 79.6 1.35 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.143 -0.481 . . . . 74.4 110.989 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 53.02 -106.39 0.4 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.725 -0.75 . . . . 51.33 112.413 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.98 -15.86 57.63 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.746 0.308 . . . . 74.15 111.105 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 69.6 m-85 -110.24 35.88 3.26 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.27 -0.423 . . . . 74.52 110.863 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.6 t -92.37 16.23 12.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.13 -0.486 . . . . 63.14 110.97 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 45.0 m-85 -124.07 66.3 1.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 71.45 110.773 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.65 169.34 17.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 73.03 110.89 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.9 mtm180 -104.73 61.76 0.7 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.154 -0.476 . . . . 75.32 110.909 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 74.4 110.861 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.422 -0.271 . . . . 52.41 112.422 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.96 41.49 1.06 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.862 0.363 . . . . 75.23 110.802 -179.735 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 t -56.31 133.58 52.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 73.31 110.861 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -150.06 79.69 1.36 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.14 -0.482 . . . . 74.12 110.892 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 52.87 -106.13 0.36 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.847 -0.692 . . . . 72.53 112.434 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.15 -15.89 58.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.768 0.318 . . . . 74.23 111.112 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -110.27 35.96 3.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 75.42 110.879 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.6 t -92.43 16.21 12.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 75.11 110.94 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -124.08 68.57 1.05 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 73.51 110.913 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.0 mtt180 -139.98 171.45 14.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 73.15 110.832 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 15.3 mtm180 -106.44 61.07 0.64 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 64.33 110.959 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 64.24 110.822 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 N-CA-C 112.503 -0.239 . . . . 64.31 112.503 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.85 41.47 1.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.881 0.372 . . . . 75.34 110.869 -179.736 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 t -55.92 133.57 51.56 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.201 -0.454 . . . . 71.33 110.862 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -150.14 79.8 1.36 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.488 . . . . 64.53 110.831 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 52.97 -106.41 0.4 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.756 -0.735 . . . . 75.44 112.469 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.02 -15.87 57.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.795 0.331 . . . . 73.4 111.073 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -110.25 35.9 3.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 72.23 110.947 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.6 t -92.51 16.17 12.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 73.32 110.822 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -125.54 69.56 1.17 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 74.41 110.84 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.28 163.06 35.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 73.53 110.758 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.7 mtm-85 -96.55 71.9 2.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.115 -0.493 . . . . 74.31 110.854 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 71.3 110.897 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.568 -0.213 . . . . 55.4 112.568 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.96 41.47 1.06 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.964 0.412 . . . . 70.02 110.878 -179.714 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 t -57.45 133.62 55.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.113 -0.494 . . . . 74.11 110.835 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -150.18 79.84 1.36 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.111 -0.495 . . . . 74.15 110.9 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 53.07 -106.64 0.43 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.69 -0.767 . . . . 73.23 112.446 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.94 -15.98 57.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.814 0.34 . . . . 71.02 111.057 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -110.11 35.91 3.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.975 0.416 . . . . 73.14 110.861 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.6 t -92.43 16.22 12.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 72.41 110.934 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -122.32 67.44 0.94 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 73.15 110.916 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.0 mmm-85 -141.12 162.86 34.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.082 -0.508 . . . . 73.23 110.806 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -99.76 60.04 1.09 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.058 -0.519 . . . . 74.24 110.877 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.327 -0.405 0 CA-C-N 116.172 -0.467 . . . . 74.42 110.842 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.38 0 N-CA-C 112.518 -0.233 . . . . 73.41 112.518 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.98 41.5 1.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.921 0.391 . . . . 63.44 110.828 -179.707 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 t -57.07 133.63 55.14 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.068 -0.515 . . . . 60.13 110.896 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -150.22 79.77 1.35 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 73.42 110.84 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 52.87 -106.34 0.38 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.72 -0.752 . . . . 72.21 112.48 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.97 -15.86 57.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.776 0.322 . . . . 71.43 111.118 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -110.32 36.04 3.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.036 0.446 . . . . 75.45 110.902 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.5 t -92.39 16.11 12.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.096 -0.502 . . . . 54.42 110.981 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -119.95 65.54 0.82 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.098 -0.501 . . . . 72.33 110.796 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 35.8 mtp180 -139.71 158.11 44.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 74.11 110.835 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.5 mmt85 -96.67 46.53 1.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 62.1 110.964 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 73.34 110.874 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.521 -0.232 . . . . 72.23 112.521 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 m -90.97 46.06 1.29 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.941 0.401 . . . . 64.31 110.861 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 t -51.81 133.84 31.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 72.11 110.978 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -150.1 79.8 1.36 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.195 -0.457 . . . . 70.42 110.933 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 52.97 -106.54 0.41 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.65 -0.786 . . . . 55.34 112.554 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.9 -15.96 57.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.898 0.38 . . . . 73.45 111.181 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -109.85 35.81 3.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 74.21 110.95 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.3 t -92.51 16.2 12.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.103 -0.499 . . . . 70.21 110.955 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -133.34 72.92 1.49 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.184 -0.462 . . . . 72.33 110.881 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.7 mtp180 -150.14 166.72 28.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.224 -0.444 . . . . 62.44 110.894 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.4 mmt180 -91.45 67.67 5.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 71.15 110.86 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 73.42 110.906 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.394 -0.282 . . . . 73.24 112.394 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 m -90.94 46.14 1.3 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.917 0.389 . . . . 74.24 110.84 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 t -52.51 133.82 35.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.102 -0.499 . . . . 73.35 110.892 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -149.97 79.99 1.37 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 74.35 110.971 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 52.9 -106.68 0.43 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.828 -0.701 . . . . 55.51 112.464 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.76 -16.1 56.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.857 0.36 . . . . 60.53 111.135 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -109.74 35.95 3.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.189 -0.46 . . . . 71.3 110.921 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.4 t -92.57 16.13 12.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.06 -0.518 . . . . 61.04 110.83 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -131.89 68.39 1.5 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 73.33 110.916 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -145.71 158.33 43.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.02 -0.537 . . . . 75.35 110.864 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.0 mtt-85 -85.29 65.29 9.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 75.25 110.886 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.105 -0.498 . . . . 65.25 110.876 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 N-CA-C 112.434 -0.267 . . . . 71.51 112.434 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.4 m -90.95 46.02 1.29 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.878 0.37 . . . . 74.04 110.824 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 t -52.78 133.93 36.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 72.32 110.918 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -150.11 79.83 1.36 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 72.21 110.857 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 52.84 -106.46 0.4 Allowed Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.8 -0.714 . . . . 61.23 112.507 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.9 -16.01 57.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.773 0.321 . . . . 62.23 111.17 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -109.8 35.84 3.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 74.23 110.865 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.3 t -92.51 16.13 12.62 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.156 -0.475 . . . . 63.25 110.951 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -129.84 67.63 1.45 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.117 -0.492 . . . . 74.5 110.901 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 38.9 mtt180 -144.62 155.4 43.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 75.32 110.851 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -84.07 55.05 3.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 74.22 110.961 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 74.42 110.847 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.499 -0.24 . . . . 65.22 112.499 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 m -91.04 45.97 1.29 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.979 0.419 . . . . 74.01 110.871 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 t -53.61 133.91 41.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.139 -0.482 . . . . 74.54 110.928 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -150.15 79.77 1.36 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 71.44 111.033 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 52.92 -106.35 0.39 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.775 -0.726 . . . . 71.14 112.559 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.97 -16.03 58.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.771 0.32 . . . . 73.53 111.062 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -109.83 35.9 3.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.261 -0.427 . . . . 73.54 110.832 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.3 t -92.54 16.16 12.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 75.01 110.961 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -128.97 67.46 1.41 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.182 -0.463 . . . . 63.42 110.922 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.7 mmt85 -144.85 153.24 41.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 72.15 110.815 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -83.19 56.05 3.37 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.098 -0.501 . . . . 74.24 110.889 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.234 0.268 0 CA-C-N 116.145 -0.48 . . . . 61.44 110.793 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.199 0 N-CA-C 112.436 -0.266 . . . . 63.23 112.436 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 m -90.73 45.74 1.28 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.862 0.363 . . . . 65.54 110.921 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 t -51.81 133.96 31.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.088 -0.506 . . . . 72.13 110.917 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -150.16 79.88 1.36 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 71.24 110.918 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 53.01 -106.63 0.43 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.739 -0.743 . . . . 72.34 112.449 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.86 -16.02 56.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.822 0.344 . . . . 62.43 111.169 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -109.66 35.77 3.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 74.34 110.918 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.2 t -92.43 16.09 12.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 73.14 110.954 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -129.49 68.83 1.42 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.121 -0.49 . . . . 75.32 110.866 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 37.5 mtp180 -143.87 161.85 37.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 74.31 110.849 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.1 tpt180 -90.38 48.02 1.5 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.19 -0.459 . . . . 73.22 110.844 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 72.41 110.876 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.468 -0.253 . . . . 73.35 112.468 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 m -90.87 45.97 1.29 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.858 0.361 . . . . 74.13 110.843 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 t -53.78 133.88 42.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 74.25 110.899 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -150.1 79.87 1.36 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 73.03 110.789 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 52.96 -106.46 0.4 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.89 -0.672 . . . . 62.2 112.403 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.02 -15.92 58.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.813 0.339 . . . . 75.4 111.064 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -109.79 35.84 3.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.475 . . . . 75.31 110.892 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.3 t -92.59 16.31 12.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 75.22 110.914 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -129.51 70.53 1.42 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 74.42 110.884 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 74.3 mtp180 -148.37 155.91 41.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.489 . . . . 73.41 110.807 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 79.7 mtt180 -85.05 57.02 4.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 73.23 110.796 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.245 -0.434 . . . . 71.2 110.888 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.53 -0.228 . . . . 72.14 112.53 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 m -90.91 45.98 1.29 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.986 0.422 . . . . 73.33 110.965 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 t -55.55 133.88 50.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.983 -0.553 . . . . 75.23 110.855 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -150.14 79.87 1.36 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.173 -0.467 . . . . 74.04 110.839 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 52.87 -106.46 0.4 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.74 -0.743 . . . . 72.25 112.501 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.91 -16.08 57.76 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.799 0.333 . . . . 62.45 111.049 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -109.84 35.92 3.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 75.11 110.889 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.4 t -92.63 16.22 12.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 71.43 110.892 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -127.78 68.39 1.32 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.073 -0.512 . . . . 70.53 110.832 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 24.9 mtp180 -146.84 148.95 32.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.134 -0.484 . . . . 74.53 110.849 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.1 mtp180 -80.63 58.37 3.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 73.45 110.854 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 74.35 110.743 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.53 -0.228 . . . . 73.21 112.53 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 m -90.85 45.94 1.29 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.943 0.402 . . . . 70.44 110.894 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 t -55.39 133.92 50.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.177 -0.465 . . . . 65.32 110.976 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -150.17 80.0 1.36 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.315 -0.402 . . . . 73.15 110.897 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 52.84 -106.6 0.41 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.769 -0.729 . . . . 64.34 112.581 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.94 -15.95 57.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.911 0.386 . . . . 73.41 111.122 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -109.77 35.96 3.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 73.03 110.887 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.3 t -92.7 16.27 12.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 72.24 110.822 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -126.61 68.49 1.24 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 71.41 110.842 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -144.63 155.63 43.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 72.3 110.89 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.9 mtm180 -87.84 51.36 2.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 75.1 110.797 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.268 -0.424 . . . . 71.23 110.871 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.427 0 N-CA-C 112.444 -0.262 . . . . 75.24 112.444 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 m -90.98 46.04 1.29 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.949 0.404 . . . . 75.13 110.901 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 t -57.4 133.89 55.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.005 -0.543 . . . . 74.44 110.883 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -150.12 79.93 1.36 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 71.31 110.91 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 53.03 -106.6 0.43 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.671 -0.776 . . . . 74.15 112.499 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.95 -15.96 57.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.774 0.321 . . . . 72.11 111.096 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -109.75 35.84 3.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 61.01 110.878 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.3 t -92.59 16.15 12.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 74.44 110.84 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -125.2 64.78 1.14 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 74.21 110.854 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 22.9 mtm180 -142.17 147.59 36.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 73.13 110.927 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 23.8 ttm180 -82.23 56.78 3.32 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.187 -0.461 . . . . 73.34 110.863 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.327 -0.395 0 CA-C-N 116.222 -0.445 . . . . 71.32 110.934 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.236 0 N-CA-C 112.474 -0.25 . . . . 71.41 112.474 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 m -90.93 46.05 1.3 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.926 0.393 . . . . 75.43 110.89 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 t -54.87 133.77 48.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.084 -0.507 . . . . 75.42 110.905 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -150.18 80.01 1.36 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 64.11 110.83 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 53.09 -106.7 0.44 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.728 -0.749 . . . . 74.13 112.443 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.94 -16.08 58.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.765 0.317 . . . . 62.23 111.028 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -109.73 35.88 3.18 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.299 -0.409 . . . . 72.34 110.892 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.5 t -92.57 16.33 12.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 71.13 110.907 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -130.4 65.19 1.53 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.119 -0.492 . . . . 74.51 110.839 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.1 mtp85 -140.07 161.37 37.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 72.43 111.007 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.67 70.65 6.72 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.244 -0.435 . . . . 74.42 110.829 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 72.11 110.953 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.242 0 N-CA-C 112.503 -0.239 . . . . 40.54 112.503 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 m -90.88 45.87 1.28 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.887 0.375 . . . . 70.41 110.877 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 t -63.8 133.71 53.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 65.13 110.931 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -150.16 80.0 1.36 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.196 -0.456 . . . . 73.23 110.818 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 53.01 -106.58 0.42 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.716 -0.754 . . . . 75.33 112.452 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.04 -15.82 57.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.731 0.3 . . . . 64.51 111.126 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -110.02 35.97 3.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 75.41 110.828 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.5 t -92.56 16.25 12.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 63.21 110.845 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 54.6 m-85 -119.89 66.3 0.81 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 65.41 110.875 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 38.6 mtp180 -144.27 145.57 32.1 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.17 -0.468 . . . . 74.51 110.87 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.3 mtp180 -86.04 58.69 5.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 74.21 110.826 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.155 -0.475 . . . . 64.54 110.796 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.521 -0.232 . . . . 62.41 112.521 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.4 m -91.02 45.95 1.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.849 0.356 . . . . 72.52 110.757 -179.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 t -55.69 133.68 50.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.244 -0.435 . . . . 62.13 111.001 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -150.11 79.95 1.36 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.438 . . . . 74.41 110.914 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 52.93 -106.56 0.42 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.707 -0.758 . . . . 74.32 112.507 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.0 -15.82 57.7 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.798 0.332 . . . . 62.52 111.086 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -110.07 35.87 3.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.309 -0.405 . . . . 72.1 110.833 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.5 t -92.51 16.33 12.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 74.44 110.872 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -127.39 64.06 1.34 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 74.22 110.829 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.5 mtp180 -135.3 165.06 26.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.081 -0.509 . . . . 72.15 110.891 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.9 mmm-85 -97.48 56.62 1.33 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 71.23 110.822 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 116.219 -0.446 . . . . 64.24 110.886 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 N-CA-C 112.425 -0.27 . . . . 74.32 112.425 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 m -90.98 46.04 1.29 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.979 0.418 . . . . 44.24 110.846 -179.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 t -61.22 133.7 56.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.082 -0.508 . . . . 72.31 110.873 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -150.14 79.92 1.36 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.057 -0.519 . . . . 73.32 110.83 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 52.83 -106.34 0.38 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.653 -0.784 . . . . 71.24 112.543 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.04 -15.88 57.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.845 0.355 . . . . 71.21 111.154 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -110.15 36.03 3.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 74.25 110.834 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.6 t -92.55 16.24 12.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 74.33 110.888 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -120.79 63.85 0.86 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.097 -0.501 . . . . 75.54 110.911 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 81.6 mtt180 -138.04 153.28 49.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.267 -0.424 . . . . 73.43 110.815 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -92.01 50.22 1.64 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.078 -0.51 . . . . 71.52 110.783 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 74.23 110.882 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.463 -0.255 . . . . 75.54 112.463 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 m -90.91 45.95 1.29 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.848 0.356 . . . . 74.51 110.822 -179.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 t -59.57 133.75 56.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 74.4 110.857 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -150.08 79.73 1.36 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.114 -0.494 . . . . 73.51 110.924 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 53.01 -106.52 0.42 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.854 -0.688 . . . . 75.33 112.401 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.05 -15.89 58.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.788 0.328 . . . . 72.14 111.15 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -109.94 35.88 3.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.125 -0.489 . . . . 75.52 110.863 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.5 t -92.37 16.2 12.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.083 -0.508 . . . . 64.2 110.894 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -123.26 66.48 0.99 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 73.55 110.873 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -139.55 159.61 41.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.138 -0.483 . . . . 73.12 110.825 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -95.75 53.12 1.4 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 75.01 110.904 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 74.21 110.875 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.502 -0.239 . . . . 71.24 112.502 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 m -90.95 45.92 1.29 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.946 0.403 . . . . 75.31 110.9 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 t -59.86 133.71 56.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.495 . . . . 74.05 110.811 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -150.1 79.63 1.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 75.05 110.858 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 52.91 -106.21 0.37 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.779 -0.724 . . . . 65.32 112.537 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.12 -15.82 57.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.829 0.347 . . . . 72.21 111.136 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -110.09 35.73 3.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 62.45 110.919 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.5 t -92.36 16.19 12.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 75.42 110.941 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -120.56 64.49 0.84 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 72.23 110.885 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 22.7 mmm-85 -137.03 158.79 43.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 74.45 110.928 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -96.35 39.97 1.14 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 72.42 110.85 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.428 . . . . 61.45 110.911 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.381 0 N-CA-C 112.533 -0.227 . . . . 72.04 112.533 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.01 41.62 1.07 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.955 0.407 . . . . 75.42 110.84 -179.679 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 t -56.3 133.82 52.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.087 -0.506 . . . . 63.13 110.84 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -150.24 79.6 1.35 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.143 -0.481 . . . . 74.4 110.989 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 53.02 -106.39 0.4 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.725 -0.75 . . . . 51.33 112.413 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.98 -15.86 57.63 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.746 0.308 . . . . 74.15 111.105 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 69.6 m-85 -110.24 35.88 3.26 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.27 -0.423 . . . . 74.52 110.863 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.6 t -92.37 16.23 12.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.13 -0.486 . . . . 63.14 110.97 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 45.0 m-85 -124.07 66.3 1.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 71.45 110.773 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.65 169.34 17.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 73.03 110.89 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.9 mtm180 -104.73 61.76 0.7 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.154 -0.476 . . . . 75.32 110.909 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 74.4 110.861 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.422 -0.271 . . . . 52.41 112.422 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.96 41.49 1.06 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.862 0.363 . . . . 75.23 110.802 -179.735 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 t -56.31 133.58 52.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 73.31 110.861 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -150.06 79.69 1.36 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.14 -0.482 . . . . 74.12 110.892 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 52.87 -106.13 0.36 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.847 -0.692 . . . . 72.53 112.434 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.15 -15.89 58.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.768 0.318 . . . . 74.23 111.112 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -110.27 35.96 3.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 75.42 110.879 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.6 t -92.43 16.21 12.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 75.11 110.94 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -124.08 68.57 1.05 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 73.51 110.913 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.0 mtt180 -139.98 171.45 14.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 73.15 110.832 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 15.3 mtm180 -106.44 61.07 0.64 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 64.33 110.959 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 64.24 110.822 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 N-CA-C 112.503 -0.239 . . . . 64.31 112.503 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.85 41.47 1.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.881 0.372 . . . . 75.34 110.869 -179.736 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 t -55.92 133.57 51.56 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.201 -0.454 . . . . 71.33 110.862 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -150.14 79.8 1.36 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.488 . . . . 64.53 110.831 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 52.97 -106.41 0.4 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.756 -0.735 . . . . 75.44 112.469 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.02 -15.87 57.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.795 0.331 . . . . 73.4 111.073 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -110.25 35.9 3.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 72.23 110.947 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.6 t -92.51 16.17 12.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 73.32 110.822 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -125.54 69.56 1.17 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 74.41 110.84 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.28 163.06 35.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 73.53 110.758 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.7 mtm-85 -96.55 71.9 2.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.115 -0.493 . . . . 74.31 110.854 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 71.3 110.897 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.568 -0.213 . . . . 55.4 112.568 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.96 41.47 1.06 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.964 0.412 . . . . 70.02 110.878 -179.714 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 t -57.45 133.62 55.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.113 -0.494 . . . . 74.11 110.835 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -150.18 79.84 1.36 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.111 -0.495 . . . . 74.15 110.9 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 53.07 -106.64 0.43 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.69 -0.767 . . . . 73.23 112.446 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.94 -15.98 57.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.814 0.34 . . . . 71.02 111.057 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -110.11 35.91 3.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.975 0.416 . . . . 73.14 110.861 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.6 t -92.43 16.22 12.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 72.41 110.934 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -122.32 67.44 0.94 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 73.15 110.916 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.0 mmm-85 -141.12 162.86 34.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.082 -0.508 . . . . 73.23 110.806 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -99.76 60.04 1.09 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.058 -0.519 . . . . 74.24 110.877 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.327 -0.405 0 CA-C-N 116.172 -0.467 . . . . 74.42 110.842 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.38 0 N-CA-C 112.518 -0.233 . . . . 73.41 112.518 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.98 41.5 1.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.921 0.391 . . . . 63.44 110.828 -179.707 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 t -57.07 133.63 55.14 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.068 -0.515 . . . . 60.13 110.896 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -150.22 79.77 1.35 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 73.42 110.84 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 52.87 -106.34 0.38 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.72 -0.752 . . . . 72.21 112.48 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.97 -15.86 57.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.776 0.322 . . . . 71.43 111.118 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -110.32 36.04 3.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.036 0.446 . . . . 75.45 110.902 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.5 t -92.39 16.11 12.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.096 -0.502 . . . . 54.42 110.981 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -119.95 65.54 0.82 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.098 -0.501 . . . . 72.33 110.796 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 35.8 mtp180 -139.71 158.11 44.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 74.11 110.835 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.5 mmt85 -96.67 46.53 1.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 62.1 110.964 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 73.34 110.874 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.521 -0.232 . . . . 45.03 112.521 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 m -90.97 46.06 1.29 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.941 0.401 . . . . 62.33 110.861 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 t -51.81 133.84 31.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 72.11 110.978 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -150.1 79.8 1.36 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.195 -0.457 . . . . 70.42 110.933 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 52.97 -106.54 0.41 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.65 -0.786 . . . . 42.51 112.554 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.9 -15.96 57.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.898 0.38 . . . . 73.45 111.181 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -109.85 35.81 3.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 63.24 110.95 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.3 t -92.51 16.2 12.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.103 -0.499 . . . . 70.21 110.955 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -133.34 72.92 1.49 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.184 -0.462 . . . . 72.33 110.881 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.7 mtp180 -150.14 166.72 28.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.224 -0.444 . . . . 62.44 110.894 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.4 mmt180 -91.45 67.67 5.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 71.15 110.86 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 71.13 110.906 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.394 -0.282 . . . . 54.43 112.394 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 m -90.94 46.14 1.3 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.917 0.389 . . . . 74.24 110.84 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 t -52.51 133.82 35.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.102 -0.499 . . . . 64.25 110.892 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -149.97 79.99 1.37 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 60.03 110.971 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 52.9 -106.68 0.43 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.828 -0.701 . . . . 43.21 112.464 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.76 -16.1 56.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.857 0.36 . . . . 60.53 111.135 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -109.74 35.95 3.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.189 -0.46 . . . . 71.3 110.921 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.4 t -92.57 16.13 12.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.06 -0.518 . . . . 54.51 110.83 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -131.89 68.39 1.5 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 73.33 110.916 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -145.71 158.33 43.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.02 -0.537 . . . . 74.11 110.864 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.0 mtt-85 -85.29 65.29 9.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 75.25 110.886 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.105 -0.498 . . . . 60.43 110.876 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 N-CA-C 112.434 -0.267 . . . . 43.43 112.434 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.4 m -90.95 46.02 1.29 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.878 0.37 . . . . 71.32 110.824 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 t -52.78 133.93 36.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 72.32 110.918 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -150.11 79.83 1.36 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 72.21 110.857 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 52.84 -106.46 0.4 Allowed Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.8 -0.714 . . . . 60.02 112.507 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.9 -16.01 57.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.773 0.321 . . . . 62.23 111.17 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -109.8 35.84 3.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 74.23 110.865 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.3 t -92.51 16.13 12.62 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.156 -0.475 . . . . 63.25 110.951 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -129.84 67.63 1.45 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.117 -0.492 . . . . 74.13 110.901 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 38.9 mtt180 -144.62 155.4 43.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 75.32 110.851 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -84.07 55.05 3.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 74.22 110.961 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 74.42 110.847 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.499 -0.24 . . . . 65.22 112.499 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 m -91.04 45.97 1.29 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.979 0.419 . . . . 51.53 110.871 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 t -53.61 133.91 41.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.139 -0.482 . . . . 74.54 110.928 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -150.15 79.77 1.36 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 62.13 111.033 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 52.92 -106.35 0.39 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.775 -0.726 . . . . 71.14 112.559 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.97 -16.03 58.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.771 0.32 . . . . 73.13 111.062 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -109.83 35.9 3.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.261 -0.427 . . . . 60.21 110.832 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.3 t -92.54 16.16 12.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 63.34 110.961 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -128.97 67.46 1.41 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.182 -0.463 . . . . 63.42 110.922 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.7 mmt85 -144.85 153.24 41.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 72.15 110.815 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -83.19 56.05 3.37 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.098 -0.501 . . . . 62.42 110.889 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.234 0.268 0 CA-C-N 116.145 -0.48 . . . . 61.44 110.793 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.199 0 N-CA-C 112.436 -0.266 . . . . 42.15 112.436 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 m -90.73 45.74 1.28 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.862 0.363 . . . . 62.2 110.921 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 t -51.81 133.96 31.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.088 -0.506 . . . . 72.13 110.917 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -150.16 79.88 1.36 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 71.24 110.918 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 53.01 -106.63 0.43 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.739 -0.743 . . . . 40.41 112.449 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.86 -16.02 56.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.822 0.344 . . . . 62.43 111.169 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -109.66 35.77 3.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 74.34 110.918 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.2 t -92.43 16.09 12.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 70.42 110.954 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -129.49 68.83 1.42 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.121 -0.49 . . . . 61.31 110.866 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 37.5 mtp180 -143.87 161.85 37.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 74.31 110.849 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.1 tpt180 -90.38 48.02 1.5 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.19 -0.459 . . . . 63.35 110.844 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 72.41 110.876 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.468 -0.253 . . . . 73.35 112.468 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 m -90.87 45.97 1.29 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.858 0.361 . . . . 63.42 110.843 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 t -53.78 133.88 42.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 61.42 110.899 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -150.1 79.87 1.36 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 62.11 110.789 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 52.96 -106.46 0.4 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.89 -0.672 . . . . 43.22 112.403 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.02 -15.92 58.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.813 0.339 . . . . 75.4 111.064 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -109.79 35.84 3.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.475 . . . . 73.04 110.892 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.3 t -92.59 16.31 12.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 75.22 110.914 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -129.51 70.53 1.42 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 64.11 110.884 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 74.3 mtp180 -148.37 155.91 41.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.489 . . . . 73.33 110.807 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 79.7 mtt180 -85.05 57.02 4.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 64.33 110.796 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.245 -0.434 . . . . 71.2 110.888 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.53 -0.228 . . . . 72.14 112.53 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 m -90.91 45.98 1.29 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.986 0.422 . . . . 62.42 110.965 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 t -55.55 133.88 50.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.983 -0.553 . . . . 75.23 110.855 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -150.14 79.87 1.36 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.173 -0.467 . . . . 71.2 110.839 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 52.87 -106.46 0.4 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.74 -0.743 . . . . 72.25 112.501 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.91 -16.08 57.76 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.799 0.333 . . . . 52.42 111.049 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -109.84 35.92 3.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 75.11 110.889 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.4 t -92.63 16.22 12.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 71.43 110.892 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -127.78 68.39 1.32 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.073 -0.512 . . . . 65.52 110.832 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 24.9 mtp180 -146.84 148.95 32.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.134 -0.484 . . . . 74.53 110.849 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.1 mtp180 -80.63 58.37 3.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 73.45 110.854 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 74.35 110.743 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.53 -0.228 . . . . 64.45 112.53 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 m -90.85 45.94 1.29 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.943 0.402 . . . . 70.31 110.894 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 t -55.39 133.92 50.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.177 -0.465 . . . . 65.32 110.976 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -150.17 80.0 1.36 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.315 -0.402 . . . . 73.15 110.897 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 52.84 -106.6 0.41 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.769 -0.729 . . . . 62.2 112.581 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.94 -15.95 57.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.911 0.386 . . . . 72.02 111.122 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -109.77 35.96 3.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 73.03 110.887 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.3 t -92.7 16.27 12.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 71.43 110.822 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -126.61 68.49 1.24 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 71.41 110.842 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -144.63 155.63 43.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 72.13 110.89 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.9 mtm180 -87.84 51.36 2.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 74.05 110.797 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.268 -0.424 . . . . 71.23 110.871 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.427 0 N-CA-C 112.444 -0.262 . . . . 75.24 112.444 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 m -90.98 46.04 1.29 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.949 0.404 . . . . 75.13 110.901 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 t -57.4 133.89 55.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.005 -0.543 . . . . 73.2 110.883 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -150.12 79.93 1.36 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 71.31 110.91 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 53.03 -106.6 0.43 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.671 -0.776 . . . . 74.15 112.499 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.95 -15.96 57.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.774 0.321 . . . . 72.11 111.096 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -109.75 35.84 3.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 54.32 110.878 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.3 t -92.59 16.15 12.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 74.44 110.84 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -125.2 64.78 1.14 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 70.22 110.854 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 22.9 mtm180 -142.17 147.59 36.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 72.42 110.927 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 23.8 ttm180 -82.23 56.78 3.32 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.187 -0.461 . . . . 73.34 110.863 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.327 -0.395 0 CA-C-N 116.222 -0.445 . . . . 71.32 110.934 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.236 0 N-CA-C 112.474 -0.25 . . . . 43.4 112.474 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 m -90.93 46.05 1.3 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.926 0.393 . . . . 75.43 110.89 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 t -54.87 133.77 48.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.084 -0.507 . . . . 65.22 110.905 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -150.18 80.01 1.36 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 64.11 110.83 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 53.09 -106.7 0.44 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.728 -0.749 . . . . 74.13 112.443 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.94 -16.08 58.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.765 0.317 . . . . 62.23 111.028 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -109.73 35.88 3.18 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.299 -0.409 . . . . 72.34 110.892 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.5 t -92.57 16.33 12.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 63.13 110.907 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -130.4 65.19 1.53 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.119 -0.492 . . . . 71.41 110.839 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.1 mtp85 -140.07 161.37 37.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 72.43 111.007 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.67 70.65 6.72 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.244 -0.435 . . . . 74.42 110.829 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 72.11 110.953 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.242 0 N-CA-C 112.503 -0.239 . . . . 40.54 112.503 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 m -90.88 45.87 1.28 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.887 0.375 . . . . 70.41 110.877 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 t -63.8 133.71 53.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 62.55 110.931 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -150.16 80.0 1.36 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.196 -0.456 . . . . 73.23 110.818 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 53.01 -106.58 0.42 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.716 -0.754 . . . . 64.14 112.452 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.04 -15.82 57.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.731 0.3 . . . . 62.11 111.126 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -110.02 35.97 3.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 75.41 110.828 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.5 t -92.56 16.25 12.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 63.04 110.845 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 54.6 m-85 -119.89 66.3 0.81 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 64.12 110.875 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 38.6 mtp180 -144.27 145.57 32.1 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.17 -0.468 . . . . 63.3 110.87 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.3 mtp180 -86.04 58.69 5.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 74.14 110.826 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.155 -0.475 . . . . 64.54 110.796 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.521 -0.232 . . . . 62.41 112.521 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.4 m -91.02 45.95 1.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.849 0.356 . . . . 72.14 110.757 -179.705 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 t -55.69 133.68 50.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.244 -0.435 . . . . 62.13 111.001 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -150.11 79.95 1.36 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.438 . . . . 74.41 110.914 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 52.93 -106.56 0.42 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.707 -0.758 . . . . 74.32 112.507 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.0 -15.82 57.7 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.798 0.332 . . . . 32.43 111.086 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -110.07 35.87 3.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.309 -0.405 . . . . 72.1 110.833 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.5 t -92.51 16.33 12.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 55.11 110.872 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -127.39 64.06 1.34 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 74.22 110.829 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.5 mtp180 -135.3 165.06 26.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.081 -0.509 . . . . 71.3 110.891 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.9 mmm-85 -97.48 56.62 1.33 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 71.23 110.822 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 116.219 -0.446 . . . . 64.24 110.886 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 N-CA-C 112.425 -0.27 . . . . 74.32 112.425 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 m -90.98 46.04 1.29 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.979 0.418 . . . . 44.24 110.846 -179.674 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 t -61.22 133.7 56.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.082 -0.508 . . . . 64.43 110.873 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -150.14 79.92 1.36 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.057 -0.519 . . . . 72.12 110.83 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 52.83 -106.34 0.38 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.653 -0.784 . . . . 71.24 112.543 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.04 -15.88 57.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.845 0.355 . . . . 55.13 111.154 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -110.15 36.03 3.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 74.25 110.834 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.6 t -92.55 16.24 12.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 54.3 110.888 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -120.79 63.85 0.86 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.097 -0.501 . . . . 75.54 110.911 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 81.6 mtt180 -138.04 153.28 49.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.267 -0.424 . . . . 71.32 110.815 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -92.01 50.22 1.64 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.078 -0.51 . . . . 61.42 110.783 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 74.23 110.882 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.463 -0.255 . . . . 75.54 112.463 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 m -90.91 45.95 1.29 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.848 0.356 . . . . 63.02 110.822 -179.735 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 t -59.57 133.75 56.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 74.4 110.857 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -150.08 79.73 1.36 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.114 -0.494 . . . . 73.51 110.924 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 53.01 -106.52 0.42 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.854 -0.688 . . . . 75.33 112.401 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.05 -15.89 58.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.788 0.328 . . . . 72.14 111.15 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -109.94 35.88 3.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.125 -0.489 . . . . 75.52 110.863 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.5 t -92.37 16.2 12.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.083 -0.508 . . . . 64.2 110.894 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -123.26 66.48 0.99 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 73.55 110.873 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -139.55 159.61 41.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.138 -0.483 . . . . 73.12 110.825 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -95.75 53.12 1.4 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 75.01 110.904 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 55.23 110.875 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.502 -0.239 . . . . 71.24 112.502 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 m -90.95 45.92 1.29 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.946 0.403 . . . . 75.31 110.9 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 t -59.86 133.71 56.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.495 . . . . 74.05 110.811 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -150.1 79.63 1.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 75.05 110.858 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 52.91 -106.21 0.37 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.779 -0.724 . . . . 65.32 112.537 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.12 -15.82 57.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.829 0.347 . . . . 72.21 111.136 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -110.09 35.73 3.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 62.45 110.919 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.5 t -92.36 16.19 12.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 75.42 110.941 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -120.56 64.49 0.84 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 71.43 110.885 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 22.7 mmm-85 -137.03 158.79 43.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 74.45 110.928 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -96.35 39.97 1.14 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 72.42 110.85 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.428 . . . . 61.45 110.911 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.381 0 N-CA-C 112.533 -0.227 . . . . 72.04 112.533 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.01 41.62 1.07 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.955 0.407 . . . . 75.42 110.84 -179.679 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 t -56.3 133.82 52.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.087 -0.506 . . . . 63.13 110.84 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -150.24 79.6 1.35 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.143 -0.481 . . . . 74.4 110.989 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 53.02 -106.39 0.4 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.725 -0.75 . . . . 51.33 112.413 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.98 -15.86 57.63 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.746 0.308 . . . . 74.15 111.105 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 69.6 m-85 -110.24 35.88 3.26 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.27 -0.423 . . . . 73.23 110.863 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.6 t -92.37 16.23 12.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.13 -0.486 . . . . 63.14 110.97 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 45.0 m-85 -124.07 66.3 1.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 71.45 110.773 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.65 169.34 17.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 41.53 110.89 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.9 mtm180 -104.73 61.76 0.7 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.154 -0.476 . . . . 44.54 110.909 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 74.4 110.861 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.422 -0.271 . . . . 52.41 112.422 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.96 41.49 1.06 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.862 0.363 . . . . 63.25 110.802 -179.735 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 t -56.31 133.58 52.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 73.31 110.861 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -150.06 79.69 1.36 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.14 -0.482 . . . . 74.12 110.892 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 52.87 -106.13 0.36 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.847 -0.692 . . . . 72.53 112.434 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.15 -15.89 58.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.768 0.318 . . . . 74.23 111.112 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -110.27 35.96 3.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 75.42 110.879 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.6 t -92.43 16.21 12.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 75.11 110.94 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -124.08 68.57 1.05 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 64.15 110.913 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.0 mtt180 -139.98 171.45 14.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 52.31 110.832 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 15.3 mtm180 -106.44 61.07 0.64 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 64.33 110.959 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 64.11 110.822 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 N-CA-C 112.503 -0.239 . . . . 60.24 112.503 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.85 41.47 1.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.881 0.372 . . . . 75.34 110.869 -179.736 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 t -55.92 133.57 51.56 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.201 -0.454 . . . . 71.33 110.862 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -150.14 79.8 1.36 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.488 . . . . 64.53 110.831 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 52.97 -106.41 0.4 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.756 -0.735 . . . . 75.44 112.469 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.02 -15.87 57.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.795 0.331 . . . . 73.4 111.073 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -110.25 35.9 3.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 72.23 110.947 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.6 t -92.51 16.17 12.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 73.01 110.822 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -125.54 69.56 1.17 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 61.14 110.84 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.28 163.06 35.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 73.53 110.758 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.7 mtm-85 -96.55 71.9 2.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.115 -0.493 . . . . 73.03 110.854 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 71.3 110.897 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.568 -0.213 . . . . 55.4 112.568 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.96 41.47 1.06 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.964 0.412 . . . . 70.02 110.878 -179.714 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 t -57.45 133.62 55.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.113 -0.494 . . . . 52.32 110.835 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -150.18 79.84 1.36 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.111 -0.495 . . . . 74.15 110.9 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 53.07 -106.64 0.43 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.69 -0.767 . . . . 71.24 112.446 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.94 -15.98 57.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.814 0.34 . . . . 71.02 111.057 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -110.11 35.91 3.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.975 0.416 . . . . 73.14 110.861 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.6 t -92.43 16.22 12.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 72.34 110.934 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -122.32 67.44 0.94 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 73.15 110.916 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.0 mmm-85 -141.12 162.86 34.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.082 -0.508 . . . . 73.23 110.806 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -99.76 60.04 1.09 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.058 -0.519 . . . . 74.24 110.877 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.327 -0.405 0 CA-C-N 116.172 -0.467 . . . . 74.42 110.842 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.38 0 N-CA-C 112.518 -0.233 . . . . 73.41 112.518 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.98 41.5 1.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.921 0.391 . . . . 63.44 110.828 -179.707 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 t -57.07 133.63 55.14 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.068 -0.515 . . . . 60.13 110.896 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -150.22 79.77 1.35 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 73.22 110.84 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 52.87 -106.34 0.38 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.72 -0.752 . . . . 72.21 112.48 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.97 -15.86 57.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.776 0.322 . . . . 71.43 111.118 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -110.32 36.04 3.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.036 0.446 . . . . 75.45 110.902 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.5 t -92.39 16.11 12.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.096 -0.502 . . . . 54.42 110.981 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -119.95 65.54 0.82 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.098 -0.501 . . . . 53.45 110.796 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 35.8 mtp180 -139.71 158.11 44.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 74.11 110.835 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.5 mmt85 -96.67 46.53 1.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 62.1 110.964 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 73.34 110.874 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.521 -0.232 . . . . 45.03 112.521 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 m -90.97 46.06 1.29 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.941 0.401 . . . . 62.33 110.861 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 t -51.81 133.84 31.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 72.11 110.978 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -150.1 79.8 1.36 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.195 -0.457 . . . . 70.42 110.933 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 52.97 -106.54 0.41 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.65 -0.786 . . . . 42.51 112.554 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.9 -15.96 57.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.898 0.38 . . . . 73.45 111.181 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -109.85 35.81 3.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 63.24 110.95 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.3 t -92.51 16.2 12.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.103 -0.499 . . . . 70.21 110.955 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -133.34 72.92 1.49 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.184 -0.462 . . . . 72.33 110.881 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.7 mtp180 -150.14 166.72 28.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.224 -0.444 . . . . 62.44 110.894 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.4 mmt180 -91.45 67.67 5.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 71.15 110.86 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 71.13 110.906 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.394 -0.282 . . . . 54.43 112.394 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 m -90.94 46.14 1.3 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.917 0.389 . . . . 74.24 110.84 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 t -52.51 133.82 35.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.102 -0.499 . . . . 64.25 110.892 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -149.97 79.99 1.37 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 60.03 110.971 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 52.9 -106.68 0.43 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.828 -0.701 . . . . 43.21 112.464 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.76 -16.1 56.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.857 0.36 . . . . 60.53 111.135 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -109.74 35.95 3.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.189 -0.46 . . . . 71.3 110.921 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.4 t -92.57 16.13 12.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.06 -0.518 . . . . 54.51 110.83 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -131.89 68.39 1.5 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 73.33 110.916 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -145.71 158.33 43.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.02 -0.537 . . . . 74.11 110.864 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.0 mtt-85 -85.29 65.29 9.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 75.25 110.886 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.105 -0.498 . . . . 60.43 110.876 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 N-CA-C 112.434 -0.267 . . . . 43.43 112.434 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.4 m -90.95 46.02 1.29 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.878 0.37 . . . . 71.32 110.824 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 t -52.78 133.93 36.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 72.32 110.918 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -150.11 79.83 1.36 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 72.21 110.857 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 52.84 -106.46 0.4 Allowed Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.8 -0.714 . . . . 60.02 112.507 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.9 -16.01 57.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.773 0.321 . . . . 62.23 111.17 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -109.8 35.84 3.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 74.23 110.865 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.3 t -92.51 16.13 12.62 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.156 -0.475 . . . . 63.25 110.951 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -129.84 67.63 1.45 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.117 -0.492 . . . . 74.13 110.901 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 38.9 mtt180 -144.62 155.4 43.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 75.32 110.851 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -84.07 55.05 3.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 74.22 110.961 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 74.42 110.847 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.499 -0.24 . . . . 65.22 112.499 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 m -91.04 45.97 1.29 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.979 0.419 . . . . 51.53 110.871 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 t -53.61 133.91 41.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.139 -0.482 . . . . 74.54 110.928 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -150.15 79.77 1.36 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 62.13 111.033 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 52.92 -106.35 0.39 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.775 -0.726 . . . . 71.14 112.559 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.97 -16.03 58.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.771 0.32 . . . . 73.13 111.062 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -109.83 35.9 3.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.261 -0.427 . . . . 60.21 110.832 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.3 t -92.54 16.16 12.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 63.34 110.961 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -128.97 67.46 1.41 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.182 -0.463 . . . . 63.42 110.922 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.7 mmt85 -144.85 153.24 41.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 72.15 110.815 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -83.19 56.05 3.37 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.098 -0.501 . . . . 62.42 110.889 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.234 0.268 0 CA-C-N 116.145 -0.48 . . . . 61.44 110.793 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.199 0 N-CA-C 112.436 -0.266 . . . . 42.15 112.436 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 m -90.73 45.74 1.28 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.862 0.363 . . . . 62.2 110.921 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 t -51.81 133.96 31.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.088 -0.506 . . . . 72.13 110.917 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -150.16 79.88 1.36 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 71.24 110.918 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 53.01 -106.63 0.43 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.739 -0.743 . . . . 40.41 112.449 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.86 -16.02 56.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.822 0.344 . . . . 62.43 111.169 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -109.66 35.77 3.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 74.34 110.918 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.2 t -92.43 16.09 12.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 70.42 110.954 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -129.49 68.83 1.42 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.121 -0.49 . . . . 61.31 110.866 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 37.5 mtp180 -143.87 161.85 37.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 74.31 110.849 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.1 tpt180 -90.38 48.02 1.5 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.19 -0.459 . . . . 63.35 110.844 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 72.41 110.876 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.468 -0.253 . . . . 73.35 112.468 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 m -90.87 45.97 1.29 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.858 0.361 . . . . 63.42 110.843 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 t -53.78 133.88 42.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 61.42 110.899 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -150.1 79.87 1.36 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 62.11 110.789 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 52.96 -106.46 0.4 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.89 -0.672 . . . . 43.22 112.403 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.02 -15.92 58.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.813 0.339 . . . . 75.4 111.064 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -109.79 35.84 3.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.475 . . . . 73.04 110.892 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.3 t -92.59 16.31 12.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 75.22 110.914 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -129.51 70.53 1.42 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 64.11 110.884 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 74.3 mtp180 -148.37 155.91 41.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.489 . . . . 73.33 110.807 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 79.7 mtt180 -85.05 57.02 4.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 64.33 110.796 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.245 -0.434 . . . . 71.2 110.888 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.53 -0.228 . . . . 72.14 112.53 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 m -90.91 45.98 1.29 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.986 0.422 . . . . 62.42 110.965 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 t -55.55 133.88 50.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.983 -0.553 . . . . 75.23 110.855 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -150.14 79.87 1.36 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.173 -0.467 . . . . 71.2 110.839 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 52.87 -106.46 0.4 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.74 -0.743 . . . . 72.25 112.501 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.91 -16.08 57.76 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.799 0.333 . . . . 52.42 111.049 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -109.84 35.92 3.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 75.11 110.889 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.4 t -92.63 16.22 12.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 71.43 110.892 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -127.78 68.39 1.32 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.073 -0.512 . . . . 65.52 110.832 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 24.9 mtp180 -146.84 148.95 32.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.134 -0.484 . . . . 74.53 110.849 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.1 mtp180 -80.63 58.37 3.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 73.45 110.854 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 74.35 110.743 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.53 -0.228 . . . . 64.45 112.53 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 m -90.85 45.94 1.29 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.943 0.402 . . . . 70.31 110.894 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 t -55.39 133.92 50.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.177 -0.465 . . . . 65.32 110.976 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -150.17 80.0 1.36 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.315 -0.402 . . . . 73.15 110.897 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 52.84 -106.6 0.41 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.769 -0.729 . . . . 62.2 112.581 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.94 -15.95 57.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.911 0.386 . . . . 72.02 111.122 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -109.77 35.96 3.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 73.03 110.887 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.3 t -92.7 16.27 12.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 71.43 110.822 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -126.61 68.49 1.24 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 71.41 110.842 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -144.63 155.63 43.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 72.13 110.89 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.9 mtm180 -87.84 51.36 2.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 74.05 110.797 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.268 -0.424 . . . . 71.23 110.871 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.427 0 N-CA-C 112.444 -0.262 . . . . 75.24 112.444 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 m -90.98 46.04 1.29 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.949 0.404 . . . . 75.13 110.901 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 t -57.4 133.89 55.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.005 -0.543 . . . . 73.2 110.883 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -150.12 79.93 1.36 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 71.31 110.91 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 53.03 -106.6 0.43 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.671 -0.776 . . . . 74.15 112.499 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.95 -15.96 57.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.774 0.321 . . . . 72.11 111.096 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -109.75 35.84 3.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 54.32 110.878 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.3 t -92.59 16.15 12.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 74.44 110.84 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -125.2 64.78 1.14 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 70.22 110.854 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 22.9 mtm180 -142.17 147.59 36.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 72.42 110.927 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 23.8 ttm180 -82.23 56.78 3.32 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.187 -0.461 . . . . 73.34 110.863 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.327 -0.395 0 CA-C-N 116.222 -0.445 . . . . 71.32 110.934 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.236 0 N-CA-C 112.474 -0.25 . . . . 43.4 112.474 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 m -90.93 46.05 1.3 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.926 0.393 . . . . 75.43 110.89 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 t -54.87 133.77 48.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.084 -0.507 . . . . 65.22 110.905 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -150.18 80.01 1.36 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 64.11 110.83 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 53.09 -106.7 0.44 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.728 -0.749 . . . . 74.13 112.443 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.94 -16.08 58.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.765 0.317 . . . . 62.23 111.028 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -109.73 35.88 3.18 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.299 -0.409 . . . . 72.34 110.892 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.5 t -92.57 16.33 12.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 63.13 110.907 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -130.4 65.19 1.53 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.119 -0.492 . . . . 71.41 110.839 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.1 mtp85 -140.07 161.37 37.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 72.43 111.007 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.67 70.65 6.72 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.244 -0.435 . . . . 74.42 110.829 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 72.11 110.953 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.242 0 N-CA-C 112.503 -0.239 . . . . 40.54 112.503 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 m -90.88 45.87 1.28 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.887 0.375 . . . . 70.41 110.877 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 t -63.8 133.71 53.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 62.55 110.931 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -150.16 80.0 1.36 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.196 -0.456 . . . . 73.23 110.818 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 53.01 -106.58 0.42 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.716 -0.754 . . . . 64.14 112.452 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.04 -15.82 57.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.731 0.3 . . . . 62.11 111.126 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -110.02 35.97 3.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 75.41 110.828 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.5 t -92.56 16.25 12.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 63.04 110.845 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 54.6 m-85 -119.89 66.3 0.81 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 64.12 110.875 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 38.6 mtp180 -144.27 145.57 32.1 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.17 -0.468 . . . . 63.3 110.87 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.3 mtp180 -86.04 58.69 5.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 74.14 110.826 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.155 -0.475 . . . . 64.54 110.796 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.521 -0.232 . . . . 62.41 112.521 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.4 m -91.02 45.95 1.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.849 0.356 . . . . 72.14 110.757 -179.705 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 t -55.69 133.68 50.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.244 -0.435 . . . . 62.13 111.001 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -150.11 79.95 1.36 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.438 . . . . 74.41 110.914 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 52.93 -106.56 0.42 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.707 -0.758 . . . . 74.32 112.507 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.0 -15.82 57.7 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.798 0.332 . . . . 32.43 111.086 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -110.07 35.87 3.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.309 -0.405 . . . . 72.1 110.833 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.5 t -92.51 16.33 12.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 55.11 110.872 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -127.39 64.06 1.34 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 74.22 110.829 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.5 mtp180 -135.3 165.06 26.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.081 -0.509 . . . . 71.3 110.891 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.9 mmm-85 -97.48 56.62 1.33 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 71.23 110.822 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 116.219 -0.446 . . . . 64.24 110.886 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 N-CA-C 112.425 -0.27 . . . . 74.32 112.425 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 m -90.98 46.04 1.29 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.979 0.418 . . . . 44.24 110.846 -179.674 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 t -61.22 133.7 56.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.082 -0.508 . . . . 64.43 110.873 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -150.14 79.92 1.36 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.057 -0.519 . . . . 72.12 110.83 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 52.83 -106.34 0.38 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.653 -0.784 . . . . 71.24 112.543 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.04 -15.88 57.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.845 0.355 . . . . 55.13 111.154 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -110.15 36.03 3.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 74.25 110.834 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.6 t -92.55 16.24 12.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 54.3 110.888 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -120.79 63.85 0.86 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.097 -0.501 . . . . 75.54 110.911 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 81.6 mtt180 -138.04 153.28 49.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.267 -0.424 . . . . 71.32 110.815 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -92.01 50.22 1.64 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.078 -0.51 . . . . 61.42 110.783 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 74.23 110.882 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.463 -0.255 . . . . 75.54 112.463 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 m -90.91 45.95 1.29 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.848 0.356 . . . . 63.02 110.822 -179.735 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 t -59.57 133.75 56.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 74.4 110.857 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -150.08 79.73 1.36 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.114 -0.494 . . . . 73.51 110.924 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 53.01 -106.52 0.42 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.854 -0.688 . . . . 75.33 112.401 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.05 -15.89 58.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.788 0.328 . . . . 72.14 111.15 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -109.94 35.88 3.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.125 -0.489 . . . . 75.52 110.863 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.5 t -92.37 16.2 12.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.083 -0.508 . . . . 64.2 110.894 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -123.26 66.48 0.99 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 73.55 110.873 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -139.55 159.61 41.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.138 -0.483 . . . . 73.12 110.825 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -95.75 53.12 1.4 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 75.01 110.904 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 55.23 110.875 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.502 -0.239 . . . . 71.24 112.502 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 m -90.95 45.92 1.29 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.946 0.403 . . . . 75.31 110.9 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 t -59.86 133.71 56.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.495 . . . . 74.05 110.811 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -150.1 79.63 1.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 75.05 110.858 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 52.91 -106.21 0.37 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.779 -0.724 . . . . 65.32 112.537 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.12 -15.82 57.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.829 0.347 . . . . 72.21 111.136 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -110.09 35.73 3.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 62.45 110.919 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.5 t -92.36 16.19 12.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 75.42 110.941 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -120.56 64.49 0.84 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 71.43 110.885 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 22.7 mmm-85 -137.03 158.79 43.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 74.45 110.928 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -96.35 39.97 1.14 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 72.42 110.85 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.428 . . . . 61.45 110.911 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.381 0 N-CA-C 112.533 -0.227 . . . . 72.04 112.533 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.01 41.62 1.07 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.955 0.407 . . . . 75.42 110.84 -179.679 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 t -56.3 133.82 52.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.087 -0.506 . . . . 63.13 110.84 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -150.24 79.6 1.35 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.143 -0.481 . . . . 74.4 110.989 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 53.02 -106.39 0.4 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.725 -0.75 . . . . 51.33 112.413 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.98 -15.86 57.63 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.746 0.308 . . . . 74.15 111.105 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 69.6 m-85 -110.24 35.88 3.26 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.27 -0.423 . . . . 73.23 110.863 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.6 t -92.37 16.23 12.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.13 -0.486 . . . . 63.14 110.97 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 45.0 m-85 -124.07 66.3 1.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 71.45 110.773 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.65 169.34 17.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 41.53 110.89 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.9 mtm180 -104.73 61.76 0.7 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.154 -0.476 . . . . 44.54 110.909 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 74.4 110.861 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.422 -0.271 . . . . 52.41 112.422 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.96 41.49 1.06 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.862 0.363 . . . . 63.25 110.802 -179.735 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 t -56.31 133.58 52.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 73.31 110.861 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -150.06 79.69 1.36 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.14 -0.482 . . . . 74.12 110.892 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 52.87 -106.13 0.36 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.847 -0.692 . . . . 72.53 112.434 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.15 -15.89 58.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.768 0.318 . . . . 74.23 111.112 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -110.27 35.96 3.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 75.42 110.879 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.6 t -92.43 16.21 12.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 75.11 110.94 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -124.08 68.57 1.05 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 64.15 110.913 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.0 mtt180 -139.98 171.45 14.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 52.31 110.832 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 15.3 mtm180 -106.44 61.07 0.64 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 64.33 110.959 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 64.11 110.822 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 N-CA-C 112.503 -0.239 . . . . 60.24 112.503 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.85 41.47 1.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.881 0.372 . . . . 75.34 110.869 -179.736 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 t -55.92 133.57 51.56 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.201 -0.454 . . . . 71.33 110.862 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -150.14 79.8 1.36 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.488 . . . . 64.53 110.831 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 52.97 -106.41 0.4 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.756 -0.735 . . . . 75.44 112.469 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.02 -15.87 57.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.795 0.331 . . . . 73.4 111.073 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -110.25 35.9 3.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 72.23 110.947 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.6 t -92.51 16.17 12.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 73.01 110.822 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -125.54 69.56 1.17 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 61.14 110.84 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.28 163.06 35.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 73.53 110.758 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.7 mtm-85 -96.55 71.9 2.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.115 -0.493 . . . . 73.03 110.854 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 71.3 110.897 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.568 -0.213 . . . . 55.4 112.568 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.96 41.47 1.06 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.964 0.412 . . . . 70.02 110.878 -179.714 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 t -57.45 133.62 55.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.113 -0.494 . . . . 52.32 110.835 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -150.18 79.84 1.36 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.111 -0.495 . . . . 74.15 110.9 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 53.07 -106.64 0.43 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.69 -0.767 . . . . 71.24 112.446 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.94 -15.98 57.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.814 0.34 . . . . 71.02 111.057 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -110.11 35.91 3.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.975 0.416 . . . . 73.14 110.861 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.6 t -92.43 16.22 12.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 72.34 110.934 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -122.32 67.44 0.94 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 73.15 110.916 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.0 mmm-85 -141.12 162.86 34.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.082 -0.508 . . . . 73.23 110.806 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -99.76 60.04 1.09 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.058 -0.519 . . . . 74.24 110.877 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.327 -0.405 0 CA-C-N 116.172 -0.467 . . . . 74.42 110.842 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.38 0 N-CA-C 112.518 -0.233 . . . . 73.41 112.518 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.98 41.5 1.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.921 0.391 . . . . 63.44 110.828 -179.707 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 t -57.07 133.63 55.14 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.068 -0.515 . . . . 60.13 110.896 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -150.22 79.77 1.35 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 73.22 110.84 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 52.87 -106.34 0.38 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.72 -0.752 . . . . 72.21 112.48 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.97 -15.86 57.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.776 0.322 . . . . 71.43 111.118 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -110.32 36.04 3.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.036 0.446 . . . . 75.45 110.902 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.5 t -92.39 16.11 12.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.096 -0.502 . . . . 54.42 110.981 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -119.95 65.54 0.82 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.098 -0.501 . . . . 53.45 110.796 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 35.8 mtp180 -139.71 158.11 44.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 74.11 110.835 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.5 mmt85 -96.67 46.53 1.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 62.1 110.964 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 73.34 110.874 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.521 -0.232 . . . . 45.03 112.521 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 m -90.97 46.06 1.29 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.941 0.401 . . . . 62.33 110.861 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 t -51.81 133.84 31.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 72.11 110.978 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -150.1 79.8 1.36 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.195 -0.457 . . . . 70.42 110.933 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 52.97 -106.54 0.41 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.65 -0.786 . . . . 42.51 112.554 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.9 -15.96 57.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.898 0.38 . . . . 73.45 111.181 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -109.85 35.81 3.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 63.24 110.95 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.3 t -92.51 16.2 12.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.103 -0.499 . . . . 70.21 110.955 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -133.34 72.92 1.49 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.184 -0.462 . . . . 72.33 110.881 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.7 mtp180 -150.14 166.72 28.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.224 -0.444 . . . . 62.44 110.894 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.4 mmt180 -91.45 67.67 5.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 71.15 110.86 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 71.13 110.906 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.394 -0.282 . . . . 54.43 112.394 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 m -90.94 46.14 1.3 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.917 0.389 . . . . 74.24 110.84 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 t -52.51 133.82 35.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.102 -0.499 . . . . 64.25 110.892 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -149.97 79.99 1.37 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 60.03 110.971 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 52.9 -106.68 0.43 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.828 -0.701 . . . . 43.21 112.464 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.76 -16.1 56.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.857 0.36 . . . . 60.53 111.135 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -109.74 35.95 3.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.189 -0.46 . . . . 71.3 110.921 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.4 t -92.57 16.13 12.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.06 -0.518 . . . . 54.51 110.83 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -131.89 68.39 1.5 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 73.33 110.916 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -145.71 158.33 43.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.02 -0.537 . . . . 74.11 110.864 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.0 mtt-85 -85.29 65.29 9.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 75.25 110.886 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.105 -0.498 . . . . 60.43 110.876 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 N-CA-C 112.434 -0.267 . . . . 43.43 112.434 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.4 m -90.95 46.02 1.29 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.878 0.37 . . . . 71.32 110.824 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 t -52.78 133.93 36.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 72.32 110.918 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -150.11 79.83 1.36 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 72.21 110.857 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 52.84 -106.46 0.4 Allowed Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.8 -0.714 . . . . 60.02 112.507 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.9 -16.01 57.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.773 0.321 . . . . 62.23 111.17 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -109.8 35.84 3.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 74.23 110.865 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.3 t -92.51 16.13 12.62 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.156 -0.475 . . . . 63.25 110.951 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -129.84 67.63 1.45 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.117 -0.492 . . . . 74.13 110.901 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 38.9 mtt180 -144.62 155.4 43.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 75.32 110.851 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -84.07 55.05 3.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 74.22 110.961 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 74.42 110.847 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.499 -0.24 . . . . 65.22 112.499 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 m -91.04 45.97 1.29 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.979 0.419 . . . . 51.53 110.871 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 t -53.61 133.91 41.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.139 -0.482 . . . . 74.54 110.928 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -150.15 79.77 1.36 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 62.13 111.033 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 52.92 -106.35 0.39 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.775 -0.726 . . . . 71.14 112.559 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.97 -16.03 58.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.771 0.32 . . . . 73.13 111.062 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -109.83 35.9 3.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.261 -0.427 . . . . 60.21 110.832 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.3 t -92.54 16.16 12.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 63.34 110.961 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -128.97 67.46 1.41 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.182 -0.463 . . . . 63.42 110.922 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.7 mmt85 -144.85 153.24 41.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 72.15 110.815 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -83.19 56.05 3.37 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.098 -0.501 . . . . 62.42 110.889 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.234 0.268 0 CA-C-N 116.145 -0.48 . . . . 61.44 110.793 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.199 0 N-CA-C 112.436 -0.266 . . . . 42.15 112.436 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 m -90.73 45.74 1.28 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.862 0.363 . . . . 62.2 110.921 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 t -51.81 133.96 31.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.088 -0.506 . . . . 72.13 110.917 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -150.16 79.88 1.36 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 71.24 110.918 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 53.01 -106.63 0.43 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.739 -0.743 . . . . 40.41 112.449 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.86 -16.02 56.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.822 0.344 . . . . 62.43 111.169 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -109.66 35.77 3.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 74.34 110.918 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.2 t -92.43 16.09 12.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 70.42 110.954 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -129.49 68.83 1.42 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.121 -0.49 . . . . 61.31 110.866 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 37.5 mtp180 -143.87 161.85 37.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 74.31 110.849 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.1 tpt180 -90.38 48.02 1.5 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.19 -0.459 . . . . 63.35 110.844 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 72.41 110.876 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.468 -0.253 . . . . 73.35 112.468 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 m -90.87 45.97 1.29 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.858 0.361 . . . . 63.42 110.843 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 t -53.78 133.88 42.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 61.42 110.899 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -150.1 79.87 1.36 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 62.11 110.789 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 52.96 -106.46 0.4 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.89 -0.672 . . . . 43.22 112.403 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.02 -15.92 58.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.813 0.339 . . . . 75.4 111.064 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -109.79 35.84 3.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.475 . . . . 73.04 110.892 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.3 t -92.59 16.31 12.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 75.22 110.914 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -129.51 70.53 1.42 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 64.11 110.884 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 74.3 mtp180 -148.37 155.91 41.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.489 . . . . 73.33 110.807 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 79.7 mtt180 -85.05 57.02 4.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 64.33 110.796 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.245 -0.434 . . . . 71.2 110.888 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.53 -0.228 . . . . 72.14 112.53 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 m -90.91 45.98 1.29 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.986 0.422 . . . . 62.42 110.965 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 t -55.55 133.88 50.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.983 -0.553 . . . . 75.23 110.855 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -150.14 79.87 1.36 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.173 -0.467 . . . . 71.2 110.839 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 52.87 -106.46 0.4 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.74 -0.743 . . . . 72.25 112.501 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.91 -16.08 57.76 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.799 0.333 . . . . 52.42 111.049 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -109.84 35.92 3.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 75.11 110.889 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.4 t -92.63 16.22 12.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 71.43 110.892 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -127.78 68.39 1.32 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.073 -0.512 . . . . 65.52 110.832 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 24.9 mtp180 -146.84 148.95 32.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.134 -0.484 . . . . 74.53 110.849 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.1 mtp180 -80.63 58.37 3.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 73.45 110.854 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 74.35 110.743 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.53 -0.228 . . . . 64.45 112.53 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 m -90.85 45.94 1.29 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.943 0.402 . . . . 70.31 110.894 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 t -55.39 133.92 50.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.177 -0.465 . . . . 65.32 110.976 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -150.17 80.0 1.36 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.315 -0.402 . . . . 73.15 110.897 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 52.84 -106.6 0.41 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.769 -0.729 . . . . 62.2 112.581 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.94 -15.95 57.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.911 0.386 . . . . 72.02 111.122 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -109.77 35.96 3.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 73.03 110.887 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.3 t -92.7 16.27 12.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 71.43 110.822 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -126.61 68.49 1.24 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 71.41 110.842 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -144.63 155.63 43.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 72.13 110.89 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.9 mtm180 -87.84 51.36 2.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 74.05 110.797 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.268 -0.424 . . . . 71.23 110.871 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.427 0 N-CA-C 112.444 -0.262 . . . . 75.24 112.444 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 m -90.98 46.04 1.29 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.949 0.404 . . . . 75.13 110.901 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 t -57.4 133.89 55.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.005 -0.543 . . . . 73.2 110.883 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -150.12 79.93 1.36 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 71.31 110.91 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 53.03 -106.6 0.43 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.671 -0.776 . . . . 74.15 112.499 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.95 -15.96 57.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.774 0.321 . . . . 72.11 111.096 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -109.75 35.84 3.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 54.32 110.878 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.3 t -92.59 16.15 12.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 74.44 110.84 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -125.2 64.78 1.14 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 70.22 110.854 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 22.9 mtm180 -142.17 147.59 36.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 72.42 110.927 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 23.8 ttm180 -82.23 56.78 3.32 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.187 -0.461 . . . . 73.34 110.863 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.327 -0.395 0 CA-C-N 116.222 -0.445 . . . . 71.32 110.934 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.236 0 N-CA-C 112.474 -0.25 . . . . 43.4 112.474 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 m -90.93 46.05 1.3 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.926 0.393 . . . . 75.43 110.89 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 t -54.87 133.77 48.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.084 -0.507 . . . . 65.22 110.905 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -150.18 80.01 1.36 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 64.11 110.83 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 53.09 -106.7 0.44 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.728 -0.749 . . . . 74.13 112.443 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.94 -16.08 58.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.765 0.317 . . . . 62.23 111.028 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -109.73 35.88 3.18 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.299 -0.409 . . . . 72.34 110.892 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.5 t -92.57 16.33 12.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 63.13 110.907 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -130.4 65.19 1.53 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.119 -0.492 . . . . 71.41 110.839 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.1 mtp85 -140.07 161.37 37.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 72.43 111.007 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.67 70.65 6.72 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.244 -0.435 . . . . 74.42 110.829 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 72.11 110.953 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.242 0 N-CA-C 112.503 -0.239 . . . . 40.54 112.503 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 m -90.88 45.87 1.28 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.887 0.375 . . . . 70.41 110.877 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 t -63.8 133.71 53.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 62.55 110.931 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -150.16 80.0 1.36 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.196 -0.456 . . . . 73.23 110.818 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 53.01 -106.58 0.42 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.716 -0.754 . . . . 64.14 112.452 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.04 -15.82 57.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.731 0.3 . . . . 62.11 111.126 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -110.02 35.97 3.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 75.41 110.828 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.5 t -92.56 16.25 12.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 63.04 110.845 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 54.6 m-85 -119.89 66.3 0.81 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 64.12 110.875 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 38.6 mtp180 -144.27 145.57 32.1 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.17 -0.468 . . . . 63.3 110.87 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.3 mtp180 -86.04 58.69 5.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 74.14 110.826 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.155 -0.475 . . . . 64.54 110.796 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.521 -0.232 . . . . 62.41 112.521 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.4 m -91.02 45.95 1.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.849 0.356 . . . . 72.14 110.757 -179.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 t -55.69 133.68 50.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.244 -0.435 . . . . 62.13 111.001 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -150.11 79.95 1.36 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.438 . . . . 74.41 110.914 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 52.93 -106.56 0.42 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.707 -0.758 . . . . 74.32 112.507 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.0 -15.82 57.7 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.798 0.332 . . . . 32.43 111.086 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -110.07 35.87 3.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.309 -0.405 . . . . 72.1 110.833 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.5 t -92.51 16.33 12.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 55.11 110.872 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -127.39 64.06 1.34 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 74.22 110.829 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.5 mtp180 -135.3 165.06 26.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.081 -0.509 . . . . 71.3 110.891 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.9 mmm-85 -97.48 56.62 1.33 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 71.23 110.822 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 116.219 -0.446 . . . . 64.24 110.886 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 N-CA-C 112.425 -0.27 . . . . 74.32 112.425 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 m -90.98 46.04 1.29 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.979 0.418 . . . . 44.24 110.846 -179.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 t -61.22 133.7 56.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.082 -0.508 . . . . 64.43 110.873 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -150.14 79.92 1.36 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.057 -0.519 . . . . 72.12 110.83 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 52.83 -106.34 0.38 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.653 -0.784 . . . . 71.24 112.543 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.04 -15.88 57.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.845 0.355 . . . . 55.13 111.154 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -110.15 36.03 3.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 74.25 110.834 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.6 t -92.55 16.24 12.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 54.3 110.888 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -120.79 63.85 0.86 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.097 -0.501 . . . . 75.54 110.911 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 81.6 mtt180 -138.04 153.28 49.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.267 -0.424 . . . . 71.32 110.815 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -92.01 50.22 1.64 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.078 -0.51 . . . . 61.42 110.783 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 74.23 110.882 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.463 -0.255 . . . . 75.54 112.463 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 m -90.91 45.95 1.29 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.848 0.356 . . . . 63.02 110.822 -179.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 t -59.57 133.75 56.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 74.4 110.857 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -150.08 79.73 1.36 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.114 -0.494 . . . . 73.51 110.924 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 53.01 -106.52 0.42 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.854 -0.688 . . . . 75.33 112.401 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.05 -15.89 58.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.788 0.328 . . . . 72.14 111.15 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -109.94 35.88 3.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.125 -0.489 . . . . 75.52 110.863 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.5 t -92.37 16.2 12.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.083 -0.508 . . . . 64.2 110.894 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -123.26 66.48 0.99 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 73.55 110.873 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -139.55 159.61 41.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.138 -0.483 . . . . 73.12 110.825 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -95.75 53.12 1.4 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 75.01 110.904 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 55.23 110.875 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.502 -0.239 . . . . 71.24 112.502 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 m -90.95 45.92 1.29 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.946 0.403 . . . . 75.31 110.9 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 t -59.86 133.71 56.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.495 . . . . 74.05 110.811 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -150.1 79.63 1.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 75.05 110.858 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 52.91 -106.21 0.37 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.779 -0.724 . . . . 65.32 112.537 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.12 -15.82 57.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.829 0.347 . . . . 72.21 111.136 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -110.09 35.73 3.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 62.45 110.919 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.5 t -92.36 16.19 12.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 75.42 110.941 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -120.56 64.49 0.84 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 71.43 110.885 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 22.7 mmm-85 -137.03 158.79 43.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 74.45 110.928 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -96.35 39.97 1.14 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 72.42 110.85 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.428 . . . . 61.45 110.911 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.381 0 N-CA-C 112.533 -0.227 . . . . 72.04 112.533 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.01 41.62 1.07 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.955 0.407 . . . . 75.42 110.84 -179.679 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 t -56.3 133.82 52.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.087 -0.506 . . . . 63.13 110.84 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -150.24 79.6 1.35 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.143 -0.481 . . . . 74.4 110.989 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 53.02 -106.39 0.4 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.725 -0.75 . . . . 51.33 112.413 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.98 -15.86 57.63 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.746 0.308 . . . . 74.15 111.105 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 69.6 m-85 -110.24 35.88 3.26 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.27 -0.423 . . . . 73.23 110.863 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.6 t -92.37 16.23 12.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.13 -0.486 . . . . 63.14 110.97 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 45.0 m-85 -124.07 66.3 1.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 71.45 110.773 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.65 169.34 17.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 41.53 110.89 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.9 mtm180 -104.73 61.76 0.7 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.154 -0.476 . . . . 44.54 110.909 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 74.4 110.861 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.422 -0.271 . . . . 52.41 112.422 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.96 41.49 1.06 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.862 0.363 . . . . 63.25 110.802 -179.735 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 t -56.31 133.58 52.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 73.31 110.861 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -150.06 79.69 1.36 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.14 -0.482 . . . . 74.12 110.892 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 52.87 -106.13 0.36 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.847 -0.692 . . . . 72.53 112.434 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.15 -15.89 58.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.768 0.318 . . . . 74.23 111.112 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -110.27 35.96 3.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 75.42 110.879 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.6 t -92.43 16.21 12.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 75.11 110.94 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -124.08 68.57 1.05 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 64.15 110.913 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.0 mtt180 -139.98 171.45 14.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 52.31 110.832 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 15.3 mtm180 -106.44 61.07 0.64 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 64.33 110.959 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 64.11 110.822 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 N-CA-C 112.503 -0.239 . . . . 60.24 112.503 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.85 41.47 1.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.881 0.372 . . . . 75.34 110.869 -179.736 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 t -55.92 133.57 51.56 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.201 -0.454 . . . . 71.33 110.862 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -150.14 79.8 1.36 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.488 . . . . 64.53 110.831 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 52.97 -106.41 0.4 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.756 -0.735 . . . . 75.44 112.469 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.02 -15.87 57.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.795 0.331 . . . . 73.4 111.073 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -110.25 35.9 3.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 72.23 110.947 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.6 t -92.51 16.17 12.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 73.01 110.822 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -125.54 69.56 1.17 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 61.14 110.84 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.28 163.06 35.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 73.53 110.758 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.7 mtm-85 -96.55 71.9 2.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.115 -0.493 . . . . 73.03 110.854 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 71.3 110.897 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.568 -0.213 . . . . 55.4 112.568 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.96 41.47 1.06 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.964 0.412 . . . . 70.02 110.878 -179.714 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 t -57.45 133.62 55.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.113 -0.494 . . . . 52.32 110.835 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -150.18 79.84 1.36 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.111 -0.495 . . . . 74.15 110.9 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 53.07 -106.64 0.43 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.69 -0.767 . . . . 71.24 112.446 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.94 -15.98 57.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.814 0.34 . . . . 71.02 111.057 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -110.11 35.91 3.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.975 0.416 . . . . 73.14 110.861 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.6 t -92.43 16.22 12.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 72.34 110.934 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -122.32 67.44 0.94 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 73.15 110.916 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.0 mmm-85 -141.12 162.86 34.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.082 -0.508 . . . . 73.23 110.806 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -99.76 60.04 1.09 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.058 -0.519 . . . . 74.24 110.877 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.327 -0.405 0 CA-C-N 116.172 -0.467 . . . . 74.42 110.842 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.38 0 N-CA-C 112.518 -0.233 . . . . 73.41 112.518 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.98 41.5 1.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.921 0.391 . . . . 63.44 110.828 -179.707 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 t -57.07 133.63 55.14 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.068 -0.515 . . . . 60.13 110.896 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -150.22 79.77 1.35 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 73.22 110.84 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 52.87 -106.34 0.38 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.72 -0.752 . . . . 72.21 112.48 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.97 -15.86 57.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.776 0.322 . . . . 71.43 111.118 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -110.32 36.04 3.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.036 0.446 . . . . 75.45 110.902 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.5 t -92.39 16.11 12.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.096 -0.502 . . . . 54.42 110.981 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -119.95 65.54 0.82 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.098 -0.501 . . . . 53.45 110.796 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 35.8 mtp180 -139.71 158.11 44.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 74.11 110.835 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.5 mmt85 -96.67 46.53 1.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 62.1 110.964 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 73.34 110.874 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.521 -0.232 . . . . 45.03 112.521 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 m -90.97 46.06 1.29 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.941 0.401 . . . . 62.33 110.861 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 t -51.81 133.84 31.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 72.11 110.978 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -150.1 79.8 1.36 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.195 -0.457 . . . . 70.42 110.933 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 52.97 -106.54 0.41 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.65 -0.786 . . . . 42.51 112.554 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.9 -15.96 57.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.898 0.38 . . . . 73.45 111.181 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -109.85 35.81 3.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 63.24 110.95 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.3 t -92.51 16.2 12.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.103 -0.499 . . . . 70.21 110.955 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -133.34 72.92 1.49 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.184 -0.462 . . . . 72.33 110.881 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.7 mtp180 -150.14 166.72 28.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.224 -0.444 . . . . 62.44 110.894 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.4 mmt180 -91.45 67.67 5.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 71.15 110.86 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 71.13 110.906 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.394 -0.282 . . . . 54.43 112.394 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 m -90.94 46.14 1.3 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.917 0.389 . . . . 74.24 110.84 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 t -52.51 133.82 35.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.102 -0.499 . . . . 64.25 110.892 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -149.97 79.99 1.37 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 60.03 110.971 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 52.9 -106.68 0.43 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.828 -0.701 . . . . 43.21 112.464 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.76 -16.1 56.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.857 0.36 . . . . 60.53 111.135 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -109.74 35.95 3.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.189 -0.46 . . . . 71.3 110.921 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.4 t -92.57 16.13 12.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.06 -0.518 . . . . 54.51 110.83 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -131.89 68.39 1.5 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 73.33 110.916 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -145.71 158.33 43.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.02 -0.537 . . . . 74.11 110.864 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.0 mtt-85 -85.29 65.29 9.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 75.25 110.886 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.105 -0.498 . . . . 60.43 110.876 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 N-CA-C 112.434 -0.267 . . . . 43.43 112.434 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.4 m -90.95 46.02 1.29 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.878 0.37 . . . . 71.32 110.824 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 t -52.78 133.93 36.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 72.32 110.918 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -150.11 79.83 1.36 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 72.21 110.857 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 52.84 -106.46 0.4 Allowed Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.8 -0.714 . . . . 60.02 112.507 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.9 -16.01 57.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.773 0.321 . . . . 62.23 111.17 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -109.8 35.84 3.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 74.23 110.865 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.3 t -92.51 16.13 12.62 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.156 -0.475 . . . . 63.25 110.951 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -129.84 67.63 1.45 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.117 -0.492 . . . . 74.13 110.901 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 38.9 mtt180 -144.62 155.4 43.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 75.32 110.851 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -84.07 55.05 3.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 74.22 110.961 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 74.42 110.847 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.499 -0.24 . . . . 65.22 112.499 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 m -91.04 45.97 1.29 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.979 0.419 . . . . 51.53 110.871 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 t -53.61 133.91 41.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.139 -0.482 . . . . 74.54 110.928 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -150.15 79.77 1.36 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 62.13 111.033 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 52.92 -106.35 0.39 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.775 -0.726 . . . . 71.14 112.559 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.97 -16.03 58.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.771 0.32 . . . . 73.13 111.062 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -109.83 35.9 3.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.261 -0.427 . . . . 60.21 110.832 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.3 t -92.54 16.16 12.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 63.34 110.961 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -128.97 67.46 1.41 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.182 -0.463 . . . . 63.42 110.922 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.7 mmt85 -144.85 153.24 41.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 72.15 110.815 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -83.19 56.05 3.37 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.098 -0.501 . . . . 62.42 110.889 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.234 0.268 0 CA-C-N 116.145 -0.48 . . . . 61.44 110.793 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.199 0 N-CA-C 112.436 -0.266 . . . . 42.15 112.436 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 m -90.73 45.74 1.28 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.862 0.363 . . . . 62.2 110.921 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 t -51.81 133.96 31.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.088 -0.506 . . . . 72.13 110.917 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -150.16 79.88 1.36 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 71.24 110.918 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 53.01 -106.63 0.43 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.739 -0.743 . . . . 40.41 112.449 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.86 -16.02 56.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.822 0.344 . . . . 62.43 111.169 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -109.66 35.77 3.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 74.34 110.918 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.2 t -92.43 16.09 12.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 70.42 110.954 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -129.49 68.83 1.42 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.121 -0.49 . . . . 61.31 110.866 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 37.5 mtp180 -143.87 161.85 37.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 74.31 110.849 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.1 tpt180 -90.38 48.02 1.5 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.19 -0.459 . . . . 63.35 110.844 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 72.41 110.876 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.468 -0.253 . . . . 73.35 112.468 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 m -90.87 45.97 1.29 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.858 0.361 . . . . 63.42 110.843 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 t -53.78 133.88 42.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 61.42 110.899 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -150.1 79.87 1.36 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 62.11 110.789 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 52.96 -106.46 0.4 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.89 -0.672 . . . . 43.22 112.403 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.02 -15.92 58.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.813 0.339 . . . . 75.4 111.064 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -109.79 35.84 3.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.475 . . . . 73.04 110.892 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.3 t -92.59 16.31 12.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 75.22 110.914 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -129.51 70.53 1.42 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 64.11 110.884 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 74.3 mtp180 -148.37 155.91 41.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.489 . . . . 73.33 110.807 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 79.7 mtt180 -85.05 57.02 4.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 64.33 110.796 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.245 -0.434 . . . . 71.2 110.888 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.53 -0.228 . . . . 72.14 112.53 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 m -90.91 45.98 1.29 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.986 0.422 . . . . 62.42 110.965 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 t -55.55 133.88 50.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.983 -0.553 . . . . 75.23 110.855 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -150.14 79.87 1.36 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.173 -0.467 . . . . 71.2 110.839 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 52.87 -106.46 0.4 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.74 -0.743 . . . . 72.25 112.501 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.91 -16.08 57.76 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.799 0.333 . . . . 52.42 111.049 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -109.84 35.92 3.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 75.11 110.889 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.4 t -92.63 16.22 12.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 71.43 110.892 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -127.78 68.39 1.32 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.073 -0.512 . . . . 65.52 110.832 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 24.9 mtp180 -146.84 148.95 32.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.134 -0.484 . . . . 74.53 110.849 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.1 mtp180 -80.63 58.37 3.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 73.45 110.854 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 74.35 110.743 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.53 -0.228 . . . . 64.45 112.53 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 m -90.85 45.94 1.29 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.943 0.402 . . . . 70.31 110.894 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 t -55.39 133.92 50.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.177 -0.465 . . . . 65.32 110.976 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -150.17 80.0 1.36 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.315 -0.402 . . . . 73.15 110.897 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 52.84 -106.6 0.41 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.769 -0.729 . . . . 62.2 112.581 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.94 -15.95 57.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.911 0.386 . . . . 72.02 111.122 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -109.77 35.96 3.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 73.03 110.887 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.3 t -92.7 16.27 12.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 71.43 110.822 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -126.61 68.49 1.24 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 71.41 110.842 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -144.63 155.63 43.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 72.13 110.89 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.9 mtm180 -87.84 51.36 2.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 74.05 110.797 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.268 -0.424 . . . . 71.23 110.871 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.427 0 N-CA-C 112.444 -0.262 . . . . 75.24 112.444 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 m -90.98 46.04 1.29 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.949 0.404 . . . . 75.13 110.901 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 t -57.4 133.89 55.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.005 -0.543 . . . . 73.2 110.883 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -150.12 79.93 1.36 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 71.31 110.91 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 53.03 -106.6 0.43 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.671 -0.776 . . . . 74.15 112.499 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.95 -15.96 57.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.774 0.321 . . . . 72.11 111.096 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -109.75 35.84 3.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 54.32 110.878 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.3 t -92.59 16.15 12.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 74.44 110.84 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -125.2 64.78 1.14 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 70.22 110.854 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 22.9 mtm180 -142.17 147.59 36.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 72.42 110.927 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 23.8 ttm180 -82.23 56.78 3.32 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.187 -0.461 . . . . 73.34 110.863 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.327 -0.395 0 CA-C-N 116.222 -0.445 . . . . 71.32 110.934 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.236 0 N-CA-C 112.474 -0.25 . . . . 43.4 112.474 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 m -90.93 46.05 1.3 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.926 0.393 . . . . 75.43 110.89 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 t -54.87 133.77 48.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.084 -0.507 . . . . 65.22 110.905 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -150.18 80.01 1.36 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 64.11 110.83 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 53.09 -106.7 0.44 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.728 -0.749 . . . . 74.13 112.443 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.94 -16.08 58.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.765 0.317 . . . . 62.23 111.028 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -109.73 35.88 3.18 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.299 -0.409 . . . . 72.34 110.892 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.5 t -92.57 16.33 12.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 63.13 110.907 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -130.4 65.19 1.53 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.119 -0.492 . . . . 71.41 110.839 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.1 mtp85 -140.07 161.37 37.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 72.43 111.007 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.67 70.65 6.72 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.244 -0.435 . . . . 74.42 110.829 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 72.11 110.953 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.242 0 N-CA-C 112.503 -0.239 . . . . 40.54 112.503 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 m -90.88 45.87 1.28 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.887 0.375 . . . . 70.41 110.877 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 t -63.8 133.71 53.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 62.55 110.931 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -150.16 80.0 1.36 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.196 -0.456 . . . . 73.23 110.818 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 53.01 -106.58 0.42 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.716 -0.754 . . . . 64.14 112.452 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.04 -15.82 57.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.731 0.3 . . . . 62.11 111.126 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -110.02 35.97 3.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 75.41 110.828 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.5 t -92.56 16.25 12.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 63.04 110.845 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 54.6 m-85 -119.89 66.3 0.81 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 64.12 110.875 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 38.6 mtp180 -144.27 145.57 32.1 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.17 -0.468 . . . . 63.3 110.87 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.3 mtp180 -86.04 58.69 5.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 74.14 110.826 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.155 -0.475 . . . . 64.54 110.796 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.521 -0.232 . . . . 62.41 112.521 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.4 m -91.02 45.95 1.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.849 0.356 . . . . 72.14 110.757 -179.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 t -55.69 133.68 50.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.244 -0.435 . . . . 62.13 111.001 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -150.11 79.95 1.36 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.438 . . . . 74.41 110.914 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 52.93 -106.56 0.42 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.707 -0.758 . . . . 74.32 112.507 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.0 -15.82 57.7 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.798 0.332 . . . . 32.43 111.086 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -110.07 35.87 3.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.309 -0.405 . . . . 72.1 110.833 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.5 t -92.51 16.33 12.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 55.11 110.872 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -127.39 64.06 1.34 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 74.22 110.829 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.5 mtp180 -135.3 165.06 26.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.081 -0.509 . . . . 71.3 110.891 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.9 mmm-85 -97.48 56.62 1.33 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 71.23 110.822 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 116.219 -0.446 . . . . 64.24 110.886 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 N-CA-C 112.425 -0.27 . . . . 74.32 112.425 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 m -90.98 46.04 1.29 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.979 0.418 . . . . 44.24 110.846 -179.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 t -61.22 133.7 56.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.082 -0.508 . . . . 64.43 110.873 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -150.14 79.92 1.36 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.057 -0.519 . . . . 72.12 110.83 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 52.83 -106.34 0.38 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.653 -0.784 . . . . 71.24 112.543 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.04 -15.88 57.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.845 0.355 . . . . 55.13 111.154 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -110.15 36.03 3.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 74.25 110.834 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.6 t -92.55 16.24 12.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 54.3 110.888 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -120.79 63.85 0.86 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.097 -0.501 . . . . 75.54 110.911 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 81.6 mtt180 -138.04 153.28 49.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.267 -0.424 . . . . 71.32 110.815 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -92.01 50.22 1.64 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.078 -0.51 . . . . 61.42 110.783 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 74.23 110.882 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.463 -0.255 . . . . 75.54 112.463 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 m -90.91 45.95 1.29 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.848 0.356 . . . . 63.02 110.822 -179.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 t -59.57 133.75 56.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 74.4 110.857 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -150.08 79.73 1.36 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.114 -0.494 . . . . 73.51 110.924 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 53.01 -106.52 0.42 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.854 -0.688 . . . . 75.33 112.401 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.05 -15.89 58.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.788 0.328 . . . . 72.14 111.15 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -109.94 35.88 3.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.125 -0.489 . . . . 75.52 110.863 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.5 t -92.37 16.2 12.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.083 -0.508 . . . . 64.2 110.894 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -123.26 66.48 0.99 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 73.55 110.873 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -139.55 159.61 41.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.138 -0.483 . . . . 73.12 110.825 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -95.75 53.12 1.4 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 75.01 110.904 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 55.23 110.875 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.502 -0.239 . . . . 71.24 112.502 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 m -90.95 45.92 1.29 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.946 0.403 . . . . 75.31 110.9 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 t -59.86 133.71 56.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.495 . . . . 74.05 110.811 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -150.1 79.63 1.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 75.05 110.858 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 52.91 -106.21 0.37 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.779 -0.724 . . . . 65.32 112.537 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.12 -15.82 57.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.829 0.347 . . . . 72.21 111.136 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -110.09 35.73 3.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 62.45 110.919 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.5 t -92.36 16.19 12.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 75.42 110.941 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -120.56 64.49 0.84 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 71.43 110.885 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 22.7 mmm-85 -137.03 158.79 43.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 74.45 110.928 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -96.35 39.97 1.14 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 72.42 110.85 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.428 . . . . 61.45 110.911 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.381 0 N-CA-C 112.533 -0.227 . . . . 72.04 112.533 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.01 41.62 1.07 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.955 0.407 . . . . 75.42 110.84 -179.679 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 t -56.3 133.82 52.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.087 -0.506 . . . . 63.13 110.84 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -150.24 79.6 1.35 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.143 -0.481 . . . . 74.4 110.989 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 53.02 -106.39 0.4 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.725 -0.75 . . . . 51.33 112.413 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.98 -15.86 57.63 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.746 0.308 . . . . 74.15 111.105 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 69.6 m-85 -110.24 35.88 3.26 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.27 -0.423 . . . . 73.23 110.863 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.6 t -92.37 16.23 12.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.13 -0.486 . . . . 63.14 110.97 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 45.0 m-85 -124.07 66.3 1.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 71.45 110.773 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.65 169.34 17.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 41.53 110.89 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.9 mtm180 -104.73 61.76 0.7 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.154 -0.476 . . . . 44.54 110.909 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 74.4 110.861 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.422 -0.271 . . . . 52.41 112.422 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.96 41.49 1.06 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.862 0.363 . . . . 63.25 110.802 -179.735 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 t -56.31 133.58 52.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 73.31 110.861 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -150.06 79.69 1.36 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.14 -0.482 . . . . 74.12 110.892 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 52.87 -106.13 0.36 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.847 -0.692 . . . . 72.53 112.434 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.15 -15.89 58.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.768 0.318 . . . . 74.23 111.112 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -110.27 35.96 3.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 75.42 110.879 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.6 t -92.43 16.21 12.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 75.11 110.94 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -124.08 68.57 1.05 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 64.15 110.913 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.0 mtt180 -139.98 171.45 14.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 52.31 110.832 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 15.3 mtm180 -106.44 61.07 0.64 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 64.33 110.959 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 64.11 110.822 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 N-CA-C 112.503 -0.239 . . . . 60.24 112.503 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.85 41.47 1.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.881 0.372 . . . . 75.34 110.869 -179.736 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 t -55.92 133.57 51.56 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.201 -0.454 . . . . 71.33 110.862 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -150.14 79.8 1.36 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.488 . . . . 64.53 110.831 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 52.97 -106.41 0.4 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.756 -0.735 . . . . 75.44 112.469 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.02 -15.87 57.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.795 0.331 . . . . 73.4 111.073 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -110.25 35.9 3.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 72.23 110.947 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.6 t -92.51 16.17 12.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 73.01 110.822 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -125.54 69.56 1.17 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 61.14 110.84 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.28 163.06 35.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 73.53 110.758 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.7 mtm-85 -96.55 71.9 2.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.115 -0.493 . . . . 73.03 110.854 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 71.3 110.897 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.568 -0.213 . . . . 55.4 112.568 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.96 41.47 1.06 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.964 0.412 . . . . 70.02 110.878 -179.714 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 t -57.45 133.62 55.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.113 -0.494 . . . . 52.32 110.835 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -150.18 79.84 1.36 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.111 -0.495 . . . . 74.15 110.9 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 53.07 -106.64 0.43 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.69 -0.767 . . . . 71.24 112.446 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.94 -15.98 57.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.814 0.34 . . . . 71.02 111.057 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -110.11 35.91 3.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.975 0.416 . . . . 73.14 110.861 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.6 t -92.43 16.22 12.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 72.34 110.934 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -122.32 67.44 0.94 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 73.15 110.916 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.0 mmm-85 -141.12 162.86 34.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.082 -0.508 . . . . 73.23 110.806 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -99.76 60.04 1.09 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.058 -0.519 . . . . 74.24 110.877 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.327 -0.405 0 CA-C-N 116.172 -0.467 . . . . 74.42 110.842 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.38 0 N-CA-C 112.518 -0.233 . . . . 73.41 112.518 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.98 41.5 1.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.921 0.391 . . . . 63.44 110.828 -179.707 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 t -57.07 133.63 55.14 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.068 -0.515 . . . . 60.13 110.896 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -150.22 79.77 1.35 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 73.22 110.84 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 52.87 -106.34 0.38 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.72 -0.752 . . . . 72.21 112.48 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.97 -15.86 57.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.776 0.322 . . . . 71.43 111.118 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -110.32 36.04 3.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.036 0.446 . . . . 75.45 110.902 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.5 t -92.39 16.11 12.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.096 -0.502 . . . . 54.42 110.981 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -119.95 65.54 0.82 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.098 -0.501 . . . . 53.45 110.796 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 35.8 mtp180 -139.71 158.11 44.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 74.11 110.835 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.5 mmt85 -96.67 46.53 1.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 62.1 110.964 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 73.34 110.874 -179.995 . . . . . . . . 1 1 . 1 stop_ save_