data_6pqg_residue ############################ # Computer software used # ############################ 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 6pqg _Structure_validation_residue.Date_analyzed 2019-10-18 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 ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.487 -0.245 . . . . 72.25 112.487 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -76.51 131.13 38.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.829 0.347 . . . . 74.32 110.889 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.64 12.02 82.78 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.743 -0.741 . . . . 65.02 112.498 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -53.73 171.07 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.834 0.349 . . . . 71.55 110.904 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -98.09 142.55 29.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 72.24 111.131 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.9 ptmt . . . . . 0 C--N 1.328 -0.35 0 CA-C-O 121.346 0.593 . . . . 73.31 110.948 179.967 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 1.381 ' SG ' ' CB ' ' A' ' 18' ' ' ALA . 8.9 t . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.854 0.359 . . . . 74.14 110.894 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -178.33 -34.87 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.176 -0.466 . . . . 74.24 111.084 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -162.81 -68.22 0.05 OUTLIER 'General case' 0 CA--C 1.593 2.628 0 N-CA-C 107.597 -1.26 . . . . 74.03 107.597 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 72.0 m -51.82 -42.95 62.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 75.53 110.864 -178.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.3 m -120.12 158.53 26.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.478 . . . . 74.5 110.923 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -94.62 -7.53 40.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 71.23 111.122 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 1.381 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . . . 74.94 -67.4 0.25 Allowed 'General case' 0 CA--C 1.594 2.641 0 N-CA-C 107.541 -1.281 . . . . 70.13 107.541 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.9 t . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 73.52 110.855 -178.809 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.498 -0.241 . . . . 74.45 112.498 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -77.4 133.34 38.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.843 0.354 . . . . 74.03 110.907 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.12 12.0 75.42 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.734 -0.746 . . . . 75.05 112.449 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -55.4 172.68 0.14 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.79 0.328 . . . . 74.43 110.9 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -96.86 176.45 5.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 74.02 111.052 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 27.2 pttt . . . . . 0 C--N 1.329 -0.312 0 CA-C-O 121.447 0.641 . . . . 63.41 110.892 179.953 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 1.398 ' SG ' ' CB ' ' A' ' 18' ' ' ALA . 14.5 t . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.807 0.337 . . . . 73.11 110.904 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -178.26 -34.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 65.45 111.054 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -152.85 -69.75 0.15 Allowed 'General case' 0 CA--C 1.593 2.623 0 N-CA-C 107.575 -1.268 . . . . 63.2 107.575 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 75.0 m -56.16 -65.8 0.54 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.16 -0.473 . . . . 71.42 110.855 -178.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.8 m -91.87 151.79 20.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.14 -0.482 . . . . 70.1 110.89 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -90.9 -8.33 49.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 71.42 111.095 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 1.398 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . . . 74.88 -66.49 0.29 Allowed 'General case' 0 CA--C 1.593 2.628 0 N-CA-C 107.555 -1.276 . . . . 75.12 107.555 179.762 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.3 p . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 73.01 110.866 -178.815 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 N-CA-C 112.515 -0.234 . . . . 65.24 112.515 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -165.19 70.32 0.15 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.855 0.359 . . . . 74.34 110.812 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 134.54 38.68 0.2 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.741 -0.743 . . . . 52.13 112.501 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.8 p -124.71 151.25 45.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.888 0.375 . . . . 72.14 110.847 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -95.75 -177.27 3.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 75.31 111.07 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-O 121.404 0.621 . . . . 71.24 110.872 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 1.386 ' SG ' ' CB ' ' A' ' 18' ' ' ALA . 14.4 t . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.825 0.345 . . . . 44.12 110.904 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -178.67 -34.38 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 70.12 111.17 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -153.28 -69.87 0.15 Allowed 'General case' 0 CA--C 1.593 2.633 0 N-CA-C 107.566 -1.272 . . . . 71.34 107.566 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 33.2 t -56.19 -65.59 0.58 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 71.44 110.856 -178.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.9 m -92.11 152.01 20.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.121 -0.491 . . . . 72.34 110.869 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.08 -8.7 48.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 54.13 111.102 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 1.386 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . . . 74.89 -66.3 0.3 Allowed 'General case' 0 CA--C 1.593 2.614 0 N-CA-C 107.586 -1.264 . . . . 74.14 107.586 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 34.2 t . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 73.33 110.826 -178.809 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.513 -0.235 . . . . 64.25 112.513 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.68 -8.72 56.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.862 0.363 . . . . 73.54 110.875 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.64 15.52 8.51 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.779 -0.724 . . . . 61.15 112.486 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -52.69 160.34 0.92 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.84 0.352 . . . . 72.44 110.91 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -94.95 -169.08 1.93 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 75.33 111.103 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.9 pptp? . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 121.399 0.619 . . . . 75.32 110.89 179.984 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 1.393 ' SG ' ' CB ' ' A' ' 18' ' ' ALA . 8.6 t . . . . . 0 CA--C 1.527 0.063 0 CA-C-O 120.84 0.353 . . . . 74.44 110.885 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -174.11 -35.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 73.11 111.118 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -162.6 -65.92 0.05 OUTLIER 'General case' 0 CA--C 1.593 2.609 0 N-CA-C 107.57 -1.271 . . . . 65.4 107.57 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 28.4 t -52.92 -46.46 68.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 65.34 110.804 -178.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 5.0 m -115.23 162.73 16.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.151 -0.477 . . . . 64.35 110.877 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -98.15 -8.03 28.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 51.32 111.104 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 1.393 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . . . 74.82 -67.44 0.25 Allowed 'General case' 0 CA--C 1.593 2.629 0 N-CA-C 107.568 -1.271 . . . . 74.3 107.568 179.761 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 74.21 110.865 -178.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.485 -0.246 . . . . 73.42 112.485 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -78.13 132.49 37.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.832 0.348 . . . . 72.21 110.886 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 76.23 5.59 81.63 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.754 -0.736 . . . . 75.11 112.524 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -52.03 166.87 0.14 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.849 0.357 . . . . 75.44 110.895 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -103.64 144.62 31.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 72.32 111.089 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.0 ptpp? . . . . . 0 C--N 1.328 -0.338 0 CA-C-O 121.392 0.615 . . . . 71.24 110.953 179.959 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 1.4 ' SG ' ' CB ' ' A' ' 18' ' ' ALA . 42.5 t . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.829 0.347 . . . . 72.22 110.885 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -172.13 -36.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.477 . . . . 74.22 111.065 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -166.55 -70.4 0.03 OUTLIER 'General case' 0 CA--C 1.594 2.646 0 N-CA-C 107.56 -1.274 . . . . 71.31 107.56 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.5 t -44.18 -41.35 5.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 75.33 110.864 -178.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 25.0 m -116.63 136.53 52.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 72.13 110.843 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.79 -25.4 11.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 65.04 111.104 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 1.4 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . . . 75.96 -61.69 0.45 Allowed 'General case' 0 CA--C 1.593 2.63 0 N-CA-C 107.586 -1.264 . . . . 63.51 107.586 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 43.2 t . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.49 . . . . 73.11 110.859 -178.816 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.434 -0.266 . . . . 63.21 112.434 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -76.43 141.17 41.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.827 0.346 . . . . 74.31 110.889 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.32 16.87 55.22 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.747 -0.74 . . . . 71.42 112.508 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.8 t -66.98 153.22 44.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.854 0.359 . . . . 71.33 110.891 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -93.72 141.34 28.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 74.34 111.062 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.6 ptmt . . . . . 0 C--N 1.329 -0.315 0 CA-C-O 121.401 0.619 . . . . 73.24 110.89 179.98 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 1.402 ' SG ' ' CB ' ' A' ' 18' ' ' ALA . 42.2 t . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.848 0.356 . . . . 72.34 110.889 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -171.13 -36.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 54.32 111.107 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -166.15 -69.46 0.03 OUTLIER 'General case' 0 CA--C 1.594 2.65 0 N-CA-C 107.566 -1.272 . . . . 74.35 107.566 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.7 t -45.12 -42.38 8.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 72.21 110.847 -178.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 24.3 m -115.11 136.79 52.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 75.53 110.897 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.82 -23.9 13.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 74.02 111.13 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 1.402 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . . . 75.93 -61.57 0.46 Allowed 'General case' 0 CA--C 1.594 2.638 0 N-CA-C 107.537 -1.283 . . . . 61.43 107.537 179.75 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 21.5 t . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 74.14 110.867 -178.796 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.521 -0.232 . . . . 65.12 112.521 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -159.9 95.55 1.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.822 0.344 . . . . 75.14 110.846 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.25 45.49 3.79 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.79 -0.719 . . . . 62.53 112.491 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 5.4 p -119.81 166.65 12.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.834 0.35 . . . . 63.14 110.878 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -98.7 -174.69 2.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 73.25 111.089 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 18.9 mttm . . . . . 0 C--N 1.328 -0.33 0 CA-C-O 121.421 0.629 . . . . 71.0 110.919 179.917 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 1.399 ' SG ' ' CB ' ' A' ' 18' ' ' ALA . 15.4 t . . . . . 0 N--CA 1.458 -0.062 0 CA-C-O 120.816 0.341 . . . . 74.41 110.868 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -173.89 -35.06 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 75.21 111.111 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -150.3 -71.4 0.18 Allowed 'General case' 0 CA--C 1.593 2.633 0 N-CA-C 107.576 -1.268 . . . . 61.11 107.576 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 41.9 t -55.98 -71.66 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 74.44 110.838 -178.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.8 m -82.86 155.88 23.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 73.23 110.882 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -95.84 -8.4 34.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 73.44 111.067 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 1.399 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . . . 74.69 -66.21 0.31 Allowed 'General case' 0 CA--C 1.594 2.654 0 N-CA-C 107.53 -1.285 . . . . 75.21 107.53 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 71.24 110.822 -178.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.502 -0.239 . . . . 71.43 112.502 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -78.52 138.35 38.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.801 0.334 . . . . 63.15 110.893 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.63 11.82 66.12 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.729 -0.748 . . . . 73.24 112.519 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -66.84 162.51 21.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.837 0.351 . . . . 73.52 110.869 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -105.93 177.03 4.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 70.12 111.089 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 50.6 pttt . . . . . 0 C--N 1.329 -0.326 0 CA-C-O 121.437 0.637 . . . . 73.3 110.927 179.941 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 1.381 ' SG ' ' CB ' ' A' ' 18' ' ' ALA . 42.4 t . . . . . 0 N--CA 1.458 -0.068 0 CA-C-O 120.884 0.373 . . . . 73.25 110.911 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -174.33 -36.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 75.25 111.085 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -165.92 -71.55 0.03 OUTLIER 'General case' 0 CA--C 1.593 2.607 0 N-CA-C 107.536 -1.283 . . . . 73.21 107.536 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 26.7 t -44.2 -42.07 6.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 54.14 110.901 -178.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 27.3 m -115.18 134.6 55.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 74.51 110.876 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.41 -26.92 8.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 64.33 111.108 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 1.381 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . . . 76.25 -61.63 0.45 Allowed 'General case' 0 CA--C 1.594 2.64 0 N-CA-C 107.522 -1.288 . . . . 71.22 107.522 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 28.4 m . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 75.52 110.897 -178.792 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.498 -0.241 . . . . 73.23 112.498 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -163.09 85.31 0.52 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.827 0.346 . . . . 71.14 110.886 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.91 42.16 1.04 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.708 -0.758 . . . . 72.02 112.507 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 2.1 p -123.5 163.71 20.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.861 0.362 . . . . 70.42 110.862 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -97.85 -168.99 1.75 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 62.4 111.158 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 20.2 pttp . . . . . 0 C--N 1.328 -0.349 0 CA-C-O 121.421 0.629 . . . . 75.51 110.877 179.991 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 1.398 ' SG ' ' CB ' ' A' ' 18' ' ' ALA . 53.9 t . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.867 0.365 . . . . 62.24 110.913 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -174.36 -35.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 74.24 111.113 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -152.75 -77.65 0.12 Allowed 'General case' 0 CA--C 1.593 2.631 0 N-CA-C 107.531 -1.285 . . . . 72.12 107.531 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 45.4 t -46.91 -75.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 73.44 110.864 -178.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 21.8 m -71.63 130.55 41.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.085 -0.507 . . . . 74.2 110.922 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.43 -24.06 11.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 75.0 111.105 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 1.398 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . . . 76.05 -62.21 0.44 Allowed 'General case' 0 CA--C 1.594 2.654 0 N-CA-C 107.55 -1.278 . . . . 64.25 107.55 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 83.1 p . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 61.31 110.871 -178.795 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.498 -0.241 . . . . 44.1 112.498 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -65.37 -14.81 61.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.932 0.396 . . . . 73.11 110.912 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.58 15.09 12.92 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.738 -0.744 . . . . 52.1 112.471 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -53.16 156.8 2.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.839 0.352 . . . . 74.31 110.897 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -99.29 172.94 7.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 72.15 111.092 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.4 mmtm . . . . . 0 C--N 1.328 -0.337 0 CA-C-O 121.417 0.627 . . . . 71.55 110.914 179.939 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 1.396 ' SG ' ' CB ' ' A' ' 18' ' ' ALA . 42.0 t . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.828 0.347 . . . . 73.33 110.819 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -172.0 -36.52 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 72.25 111.135 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -166.73 -69.33 0.03 OUTLIER 'General case' 0 CA--C 1.593 2.622 0 N-CA-C 107.563 -1.273 . . . . 74.03 107.563 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 23.8 t -45.27 -42.53 9.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 73.15 110.836 -178.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 25.1 m -115.0 137.97 51.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.474 . . . . 73.32 110.901 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.93 -23.16 17.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 73.32 111.076 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 1.396 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . . . 75.87 -61.87 0.45 Allowed 'General case' 0 CA--C 1.594 2.668 0 N-CA-C 107.551 -1.277 . . . . 74.32 107.551 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 68.1 m . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 63.43 110.853 -178.778 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.477 -0.249 . . . . 44.54 112.477 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -153.39 93.13 1.67 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.837 0.351 . . . . 73.41 110.889 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.41 44.19 3.03 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.736 -0.745 . . . . 72.51 112.47 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 6.7 p -117.46 159.13 23.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.862 0.363 . . . . 71.44 110.85 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -79.6 159.79 26.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 62.31 111.109 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-O 121.413 0.625 . . . . 75.24 110.88 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 1.392 ' SG ' ' CB ' ' A' ' 18' ' ' ALA . 8.2 t . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.813 0.34 . . . . 75.04 110.894 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -179.7 -34.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 75.12 111.094 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -164.42 -69.77 0.04 OUTLIER 'General case' 0 CA--C 1.593 2.614 0 N-CA-C 107.582 -1.266 . . . . 74.0 107.582 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 35.4 t -50.04 -39.82 43.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.457 . . . . 71.01 110.828 -178.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 5.1 m -122.95 164.12 19.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 73.53 110.865 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -99.75 -7.97 24.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 73.44 111.089 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 1.392 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . . . 75.01 -67.4 0.25 Allowed 'General case' 0 CA--C 1.593 2.628 0 N-CA-C 107.574 -1.269 . . . . 72.2 107.574 179.813 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 84.1 p . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 74.44 110.863 -178.812 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.474 -0.251 . . . . 64.02 112.474 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 61.55 66.48 0.85 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.839 0.352 . . . . 62.52 110.844 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.46 38.58 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.782 -0.723 . . . . 74.14 112.507 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.8 p -133.75 138.75 45.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.814 0.34 . . . . 74.34 110.881 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.58 -176.95 0.51 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 73.2 111.073 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 29.2 pttt . . . . . 0 C--N 1.329 -0.289 0 CA-C-O 121.379 0.609 . . . . 73.14 110.916 179.991 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 1.403 ' SG ' ' CB ' ' A' ' 18' ' ' ALA . 16.1 t . . . . . 0 N--CA 1.457 -0.082 0 CA-C-O 120.886 0.374 . . . . 62.12 110.884 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -179.94 -33.92 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 51.42 111.103 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -149.39 -74.89 0.17 Allowed 'General case' 0 CA--C 1.593 2.631 0 N-CA-C 107.571 -1.27 . . . . 73.02 107.571 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 69.5 m -54.64 -71.48 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 72.55 110.868 -178.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.7 m -83.2 154.47 24.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.079 -0.509 . . . . 64.34 110.892 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -95.02 -8.29 37.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 54.2 111.113 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 1.403 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . . . 74.93 -66.1 0.31 Allowed 'General case' 0 CA--C 1.594 2.643 0 N-CA-C 107.526 -1.287 . . . . 73.04 107.526 179.728 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 27.3 p . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 73.34 110.874 -178.821 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.519 -0.233 . . . . 62.51 112.519 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -77.59 138.36 39.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.878 0.37 . . . . 73.54 110.855 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 59.48 27.44 63.45 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.688 -0.767 . . . . 73.45 112.475 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.1 t -67.67 165.12 17.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.828 0.347 . . . . 74.42 110.901 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -92.26 -174.46 3.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 72.33 111.121 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.8 mtmm . . . . . 0 C--N 1.328 -0.357 0 CA-C-O 121.393 0.616 . . . . 73.35 110.931 179.986 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 1.395 ' SG ' ' CB ' ' A' ' 18' ' ' ALA . 33.0 t . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.87 0.367 . . . . 64.13 110.874 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.61 -33.52 75.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 72.24 111.102 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.4 ' O ' ' CB ' ' A' ' 15' ' ' SER . . . 178.29 164.63 0.74 Allowed 'General case' 0 CA--C 1.593 2.618 0 N-CA-C 107.602 -1.259 . . . . 55.45 107.602 179.774 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.4 ' CB ' ' O ' ' A' ' 14' ' ' ALA . 0.2 OUTLIER 76.75 -53.98 0.58 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 72.5 110.841 -178.775 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 20.3 m -90.96 160.25 15.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 74.21 110.874 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.36 -10.1 59.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 73.15 111.134 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 1.395 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . . . 74.37 -66.87 0.28 Allowed 'General case' 0 CA--C 1.593 2.612 0 N-CA-C 107.59 -1.263 . . . . 72.33 107.59 179.804 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.2 p . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 75.32 110.883 -178.761 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.485 -0.246 . . . . 61.0 112.485 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.6 t0 50.95 50.68 18.6 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.785 0.326 . . . . 74.5 110.858 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.33 -6.99 3.68 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.724 -0.751 . . . . 74.55 112.472 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 35.3 t -87.86 138.22 31.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.788 0.328 . . . . 73.1 110.913 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -118.15 167.71 11.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 75.32 111.15 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 20.6 mmtt . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 121.397 0.618 . . . . 73.41 110.901 179.975 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 1.385 ' SG ' ' CB ' ' A' ' 18' ' ' ALA . 9.1 t . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.847 0.356 . . . . 70.31 110.856 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -178.89 -34.68 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 73.41 111.115 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -162.38 -67.65 0.05 Allowed 'General case' 0 CA--C 1.594 2.666 0 N-CA-C 107.561 -1.274 . . . . 74.1 107.561 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 62.8 m -52.8 -44.31 66.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 55.24 110.874 -178.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.4 m -118.61 157.43 27.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 72.22 110.877 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -93.61 -7.98 42.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 65.14 111.128 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 1.385 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . . . 74.91 -67.15 0.26 Allowed 'General case' 0 CA--C 1.593 2.624 0 N-CA-C 107.542 -1.281 . . . . 55.23 107.542 179.789 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 30.9 t . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 72.14 110.829 -178.787 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.479 -0.248 . . . . 44.23 112.479 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -53.37 -76.04 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.787 0.327 . . . . 72.24 110.88 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.94 51.32 4.54 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.706 -0.759 . . . . 72.03 112.494 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.7 t -69.32 147.57 50.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.797 0.332 . . . . 74.12 110.882 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.46 105.82 3.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 71.41 111.109 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 121.394 0.616 . . . . 73.25 110.922 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 1.4 ' SG ' ' CB ' ' A' ' 18' ' ' ALA . 48.6 t . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.8 0.333 . . . . 73.2 110.887 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -174.22 -36.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 75.01 111.058 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -165.86 -70.61 0.03 OUTLIER 'General case' 0 CA--C 1.594 2.641 0 N-CA-C 107.554 -1.276 . . . . 63.23 107.554 179.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 46.1 m -44.99 -42.53 8.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 73.34 110.877 -178.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 27.2 m -114.88 138.48 50.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.088 -0.505 . . . . 64.03 110.872 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.0 -21.05 27.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 74.11 111.133 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 1.4 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . . . 76.17 -62.61 0.42 Allowed 'General case' 0 CA--C 1.594 2.659 0 N-CA-C 107.539 -1.282 . . . . 74.43 107.539 179.773 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.7 m . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 74.13 110.878 -178.821 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.514 -0.234 . . . . 70.23 112.514 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -72.95 140.18 47.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.864 0.364 . . . . 71.51 110.85 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 51.87 27.24 20.32 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.731 -0.747 . . . . 75.11 112.517 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 2.0 t -62.5 145.13 55.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.868 0.366 . . . . 75.43 110.827 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.8 153.7 43.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.108 -0.496 . . . . 74.42 111.091 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 26.9 mmtt . . . . . 0 C--N 1.328 -0.357 0 CA-C-O 121.415 0.626 . . . . 75.12 110.94 179.913 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 1.383 ' SG ' ' CB ' ' A' ' 18' ' ' ALA . 25.8 t . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.834 0.349 . . . . 64.32 110.851 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.59 -34.05 77.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 63.42 111.071 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.413 ' O ' ' CB ' ' A' ' 15' ' ' SER . . . 177.03 165.16 0.52 Allowed 'General case' 0 CA--C 1.594 2.659 0 N-CA-C 107.498 -1.297 . . . . 65.31 107.498 179.794 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.413 ' CB ' ' O ' ' A' ' 14' ' ' ALA . 0.4 OUTLIER 77.02 -54.45 0.56 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.116 -0.493 . . . . 65.1 110.841 -178.837 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 34.8 m -88.04 169.19 12.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.162 -0.472 . . . . 74.3 110.92 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -88.5 -11.88 44.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 64.42 111.086 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 1.383 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . . . 73.98 -67.51 0.26 Allowed 'General case' 0 CA--C 1.593 2.605 0 N-CA-C 107.567 -1.272 . . . . 54.24 107.567 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 99.2 p . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 73.31 110.867 -178.802 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.493 -0.243 . . . . 54.02 112.493 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -73.72 138.19 44.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.838 0.351 . . . . 74.52 110.888 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 56.94 22.42 41.73 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.747 -0.74 . . . . 72.34 112.525 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 2.7 t -55.51 135.65 50.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.783 0.325 . . . . 62.21 110.876 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.09 167.14 5.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 73.11 111.091 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.8 mmtt . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 121.369 0.604 . . . . 75.51 110.931 179.92 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 1.403 ' SG ' ' CB ' ' A' ' 18' ' ' ALA . 22.5 t . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.848 0.356 . . . . 54.31 110.878 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.83 -34.32 77.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 54.25 111.124 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.407 ' O ' ' CB ' ' A' ' 15' ' ' SER . . . 175.73 165.7 0.36 Allowed 'General case' 0 CA--C 1.594 2.641 0 N-CA-C 107.572 -1.27 . . . . 63.22 107.572 179.794 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.407 ' CB ' ' O ' ' A' ' 14' ' ' ALA . 0.3 OUTLIER 77.32 -50.58 0.54 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 62.33 110.849 -178.793 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 34.8 m -92.77 170.65 9.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 72.14 110.889 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -89.49 -10.93 44.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 75.13 111.154 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 1.403 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . . . 73.8 -67.94 0.24 Allowed 'General case' 0 CA--C 1.593 2.634 0 N-CA-C 107.533 -1.284 . . . . 70.52 107.533 179.788 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.1 m . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 73.54 110.876 -178.785 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.521 -0.232 . . . . 71.43 112.521 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -66.01 89.43 0.12 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.83 0.347 . . . . 73.43 110.844 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 121.69 -14.47 9.19 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.745 -0.74 . . . . 60.34 112.473 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 33.9 t -73.79 141.41 46.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.841 0.353 . . . . 74.32 110.856 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -105.97 -170.75 1.78 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 74.34 111.119 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-O 121.398 0.618 . . . . 73.24 110.941 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 1.408 ' SG ' ' CB ' ' A' ' 18' ' ' ALA . 13.4 t . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.845 0.355 . . . . 73.23 110.913 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -178.94 -34.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 65.43 111.092 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -152.01 -71.32 0.16 Allowed 'General case' 0 CA--C 1.594 2.651 0 N-CA-C 107.535 -1.283 . . . . 73.21 107.535 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 30.3 t -55.52 -69.42 0.14 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 75.03 110.881 -178.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.0 m -86.56 157.03 19.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 73.54 110.89 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -95.99 -8.92 32.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 75.24 111.11 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 1.408 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . . . 74.83 -66.2 0.31 Allowed 'General case' 0 CA--C 1.593 2.624 0 N-CA-C 107.624 -1.251 . . . . 73.23 107.624 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.6 p . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.098 -0.501 . . . . 74.42 110.827 -178.786 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.519 -0.232 . . . . 73.21 112.519 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -156.84 100.95 1.93 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.833 0.349 . . . . 74.21 110.871 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.42 46.84 7.78 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.747 -0.74 . . . . 60.11 112.506 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 7.9 p -114.49 161.82 17.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.827 0.346 . . . . 73.15 110.861 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -92.61 163.77 13.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 64.42 111.049 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 121.408 0.623 . . . . 74.2 110.909 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 1.387 ' SG ' ' CB ' ' A' ' 18' ' ' ALA . 35.2 t . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.851 0.357 . . . . 71.03 110.904 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -74.13 -29.14 61.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 64.22 111.104 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.42 ' O ' ' CB ' ' A' ' 15' ' ' SER . . . 176.89 162.84 0.45 Allowed 'General case' 0 CA--C 1.594 2.635 0 N-CA-C 107.599 -1.26 . . . . 62.41 107.599 179.77 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.42 ' CB ' ' O ' ' A' ' 14' ' ' ALA . 1.2 t 77.42 -58.84 0.48 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 72.32 110.861 -178.775 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 23.1 m -85.95 156.09 20.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 71.54 110.839 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.84 -19.54 61.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 72.03 111.076 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 1.387 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . . . 75.31 -61.8 0.47 Allowed 'General case' 0 CA--C 1.595 2.674 0 N-CA-C 107.551 -1.277 . . . . 63.21 107.551 179.79 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.6 p . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 75.24 110.86 -178.808 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 N-CA-C 112.52 -0.232 . . . . 62.03 112.52 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -90.23 137.46 32.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.855 0.36 . . . . 72.34 110.876 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 55.45 46.53 80.38 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.696 -0.764 . . . . 74.12 112.538 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -95.71 162.55 13.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.787 0.327 . . . . 73.03 110.913 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -101.03 -169.03 1.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 72.13 111.139 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.5 ptpp? . . . . . 0 C--N 1.328 -0.345 0 CA-C-O 121.439 0.638 . . . . 74.34 110.876 179.959 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 1.383 ' SG ' ' CB ' ' A' ' 18' ' ' ALA . 46.2 t . . . . . 0 N--CA 1.458 -0.071 0 CA-C-O 120.822 0.344 . . . . 71.21 110.88 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -158.29 -38.07 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 74.43 111.122 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -164.8 -67.19 0.04 OUTLIER 'General case' 0 CA--C 1.593 2.622 0 N-CA-C 107.617 -1.253 . . . . 65.32 107.617 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 60.2 m -45.71 -48.39 15.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 73.04 110.875 -178.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 21.7 m -107.7 141.95 38.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.102 -0.499 . . . . 72.11 110.863 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.2 -17.49 53.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 63.45 111.052 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 1.383 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . . . 76.01 -63.39 0.4 Allowed 'General case' 0 CA--C 1.594 2.639 0 N-CA-C 107.593 -1.262 . . . . 71.5 107.593 179.775 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.0 t . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 73.44 110.877 -178.865 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.845 0.355 . . . . 71.14 111.108 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 1.385 ' SG ' ' CB ' ' A' ' 14' ' ' ALA . 4.3 t -156.48 126.59 6.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 75.23 110.879 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -61.05 -17.71 52.6 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.728 -0.749 . . . . 74.23 112.462 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' DBB . . . . . 1.325 ' CB ' ' SG ' ' A' ' 8' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -90.89 -149.95 23.99 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.686 -0.769 . . . . 72.25 112.487 -177.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -76.51 131.13 38.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.829 0.347 . . . . 74.32 110.889 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.64 12.02 82.78 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.743 -0.741 . . . . 65.02 112.498 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 1.325 ' SG ' ' CB ' ' A' ' 4' ' ' DBB . 0.6 OUTLIER -53.73 171.07 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.834 0.349 . . . . 71.55 110.904 -179.906 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -98.09 142.55 29.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 72.24 111.131 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.9 ptmt -106.52 153.33 22.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.346 0.593 . . . . 73.31 110.948 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' DBB . . . . . 1.328 ' CB ' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 1.381 ' SG ' ' CB ' ' A' ' 18' ' ' ALA . 8.9 t -66.26 89.37 0.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 118.604 0.638 . . . . 74.14 110.894 -177.456 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -178.33 -34.87 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.176 -0.466 . . . . 74.24 111.084 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 1.385 ' CB ' ' SG ' ' A' ' 2' ' ' CYS . . . -162.81 -68.22 0.05 OUTLIER 'General case' 0 CA--C 1.593 2.628 0 N-CA-C 107.597 -1.26 . . . . 74.03 107.597 179.79 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 72.0 m -51.82 -42.95 62.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 75.53 110.864 -178.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 1.328 ' SG ' ' CB ' ' A' ' 11' ' ' DBB . 4.3 m -120.12 158.53 26.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.478 . . . . 74.5 110.923 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -94.62 -7.53 40.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 71.23 111.122 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 1.381 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . . . 74.94 -67.4 0.25 Allowed 'General case' 0 CA--C 1.594 2.641 0 N-CA-C 107.541 -1.281 . . . . 70.13 107.541 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.9 t . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 73.52 110.855 -178.809 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.833 0.349 . . . . 72.3 111.145 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 1.391 ' SG ' ' CB ' ' A' ' 14' ' ' ALA . 3.4 t -74.52 -45.89 42.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 71.33 110.888 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 95.05 -22.55 37.75 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.725 -0.75 . . . . 72.23 112.446 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' DBB . . . . . 1.324 ' CB ' ' SG ' ' A' ' 8' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -92.66 -147.22 20.92 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.725 -0.75 . . . . 74.45 112.498 -177.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -77.4 133.34 38.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.843 0.354 . . . . 74.03 110.907 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.12 12.0 75.42 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.734 -0.746 . . . . 75.05 112.449 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 1.324 ' SG ' ' CB ' ' A' ' 4' ' ' DBB . 0.5 OUTLIER -55.4 172.68 0.14 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.79 0.328 . . . . 74.43 110.9 -179.855 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -96.86 176.45 5.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 74.02 111.052 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 27.2 pttt -134.6 158.27 44.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.447 0.641 . . . . 63.41 110.892 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' DBB . . . . . 1.331 ' CB ' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 1.398 ' SG ' ' CB ' ' A' ' 18' ' ' ALA . 14.5 t -71.63 87.5 0.93 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 118.488 0.585 . . . . 73.11 110.904 -177.449 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -178.26 -34.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 65.45 111.054 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 1.391 ' CB ' ' SG ' ' A' ' 2' ' ' CYS . . . -152.85 -69.75 0.15 Allowed 'General case' 0 CA--C 1.593 2.623 0 N-CA-C 107.575 -1.268 . . . . 63.2 107.575 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 75.0 m -56.16 -65.8 0.54 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.16 -0.473 . . . . 71.42 110.855 -178.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 1.331 ' SG ' ' CB ' ' A' ' 11' ' ' DBB . 3.8 m -91.87 151.79 20.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.14 -0.482 . . . . 70.1 110.89 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -90.9 -8.33 49.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 71.42 111.095 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 1.398 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . . . 74.88 -66.49 0.29 Allowed 'General case' 0 CA--C 1.593 2.628 0 N-CA-C 107.555 -1.276 . . . . 75.12 107.555 179.762 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.3 p . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 73.01 110.866 -178.815 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.872 0.368 . . . . 75.35 111.08 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 1.379 ' SG ' ' CB ' ' A' ' 14' ' ' ALA . 0.1 OUTLIER -110.43 125.83 53.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 73.11 110.886 -179.947 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -53.78 -26.26 32.25 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.672 -0.775 . . . . 74.22 112.525 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' DBB . . . . . 1.338 ' CB ' ' SG ' ' A' ' 8' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -169.24 -35.54 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.767 -0.73 . . . . 65.24 112.515 -177.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -165.19 70.32 0.15 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.855 0.359 . . . . 74.34 110.812 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 134.54 38.68 0.2 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.741 -0.743 . . . . 52.13 112.501 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 1.338 ' SG ' ' CB ' ' A' ' 4' ' ' DBB . 1.8 p -124.71 151.25 45.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.888 0.375 . . . . 72.14 110.847 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -95.75 -177.27 3.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 75.31 111.07 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.68 155.41 29.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.404 0.621 . . . . 71.24 110.872 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' DBB . . . . . 1.332 ' CB ' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 1.386 ' SG ' ' CB ' ' A' ' 18' ' ' ALA . 14.4 t -71.36 87.66 0.86 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 118.539 0.609 . . . . 44.12 110.904 -177.45 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -178.67 -34.38 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 70.12 111.17 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 1.379 ' CB ' ' SG ' ' A' ' 2' ' ' CYS . . . -153.28 -69.87 0.15 Allowed 'General case' 0 CA--C 1.593 2.633 0 N-CA-C 107.566 -1.272 . . . . 71.34 107.566 179.796 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 33.2 t -56.19 -65.59 0.58 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 71.44 110.856 -178.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 1.332 ' SG ' ' CB ' ' A' ' 11' ' ' DBB . 3.9 m -92.11 152.01 20.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.121 -0.491 . . . . 72.34 110.869 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.08 -8.7 48.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 54.13 111.102 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 1.386 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . . . 74.89 -66.3 0.3 Allowed 'General case' 0 CA--C 1.593 2.614 0 N-CA-C 107.586 -1.264 . . . . 74.14 107.586 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 34.2 t . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 73.33 110.826 -178.809 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.796 0.331 . . . . 71.44 111.116 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 1.405 ' SG ' ' CB ' ' A' ' 14' ' ' ALA . 4.0 t -83.51 122.59 28.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 71.42 110.916 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -60.81 -16.1 44.8 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.764 -0.731 . . . . 61.4 112.53 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' DBB . . . . . 1.323 ' CB ' ' SG ' ' A' ' 8' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.23 -173.6 21.39 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.751 -0.738 . . . . 64.25 112.513 -177.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.68 -8.72 56.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.862 0.363 . . . . 73.54 110.875 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.64 15.52 8.51 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.779 -0.724 . . . . 61.15 112.486 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 1.323 ' SG ' ' CB ' ' A' ' 4' ' ' DBB . 0.1 OUTLIER -52.69 160.34 0.92 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.84 0.352 . . . . 72.44 110.91 -179.927 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -94.95 -169.08 1.93 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 75.33 111.103 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.9 pptp? -136.81 155.84 49.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.399 0.619 . . . . 75.32 110.89 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' DBB . . . . . 1.331 ' CB ' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 1.393 ' SG ' ' CB ' ' A' ' 18' ' ' ALA . 8.6 t -67.58 86.6 0.2 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 118.523 0.601 . . . . 74.44 110.885 -177.447 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -174.11 -35.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 73.11 111.118 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 1.405 ' CB ' ' SG ' ' A' ' 2' ' ' CYS . . . -162.6 -65.92 0.05 OUTLIER 'General case' 0 CA--C 1.593 2.609 0 N-CA-C 107.57 -1.271 . . . . 65.4 107.57 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 28.4 t -52.92 -46.46 68.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 65.34 110.804 -178.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 1.331 ' SG ' ' CB ' ' A' ' 11' ' ' DBB . 5.0 m -115.23 162.73 16.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.151 -0.477 . . . . 64.35 110.877 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -98.15 -8.03 28.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 51.32 111.104 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 1.393 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . . . 74.82 -67.44 0.25 Allowed 'General case' 0 CA--C 1.593 2.629 0 N-CA-C 107.568 -1.271 . . . . 74.3 107.568 179.761 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 74.21 110.865 -178.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.827 0.346 . . . . 71.34 111.118 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 1.391 ' SG ' ' CB ' ' A' ' 14' ' ' ALA . 3.0 t -121.18 133.93 55.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 62.43 110.852 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -66.29 -15.79 63.89 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.718 -0.753 . . . . 72.31 112.498 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' DBB . . . . . 1.313 ' CB ' ' SG ' ' A' ' 8' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -92.71 -147.19 20.93 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.763 -0.732 . . . . 73.42 112.485 -177.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -78.13 132.49 37.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.832 0.348 . . . . 72.21 110.886 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 76.23 5.59 81.63 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.754 -0.736 . . . . 75.11 112.524 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 1.313 ' SG ' ' CB ' ' A' ' 4' ' ' DBB . 0.5 OUTLIER -52.03 166.87 0.14 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.849 0.357 . . . . 75.44 110.895 -179.907 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -103.64 144.62 31.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 72.32 111.089 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.0 ptpp? -104.44 158.37 16.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.392 0.615 . . . . 71.24 110.953 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' DBB . . . . . 1.326 ' CB ' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 1.4 ' SG ' ' CB ' ' A' ' 18' ' ' ALA . 42.5 t -66.87 84.86 0.12 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 118.537 0.608 . . . . 72.22 110.885 -177.436 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -172.13 -36.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.477 . . . . 74.22 111.065 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 1.391 ' CB ' ' SG ' ' A' ' 2' ' ' CYS . . . -166.55 -70.4 0.03 OUTLIER 'General case' 0 CA--C 1.594 2.646 0 N-CA-C 107.56 -1.274 . . . . 71.31 107.56 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.5 t -44.18 -41.35 5.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 75.33 110.864 -178.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 1.326 ' SG ' ' CB ' ' A' ' 11' ' ' DBB . 25.0 m -116.63 136.53 52.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 72.13 110.843 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.79 -25.4 11.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 65.04 111.104 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 1.4 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . . . 75.96 -61.69 0.45 Allowed 'General case' 0 CA--C 1.593 2.63 0 N-CA-C 107.586 -1.264 . . . . 63.51 107.586 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 43.2 t . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.49 . . . . 73.11 110.859 -178.816 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.841 0.353 . . . . 72.13 111.077 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 1.382 ' SG ' ' CB ' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -117.22 135.5 53.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 74.34 110.861 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -72.05 -14.01 76.15 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.739 -0.744 . . . . 64.52 112.457 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' DBB . . . . . 1.325 ' CB ' ' SG ' ' A' ' 8' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -94.42 -142.28 12.28 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.73 -0.748 . . . . 63.21 112.434 -177.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -76.43 141.17 41.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.827 0.346 . . . . 74.31 110.889 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.32 16.87 55.22 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.747 -0.74 . . . . 71.42 112.508 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 1.325 ' SG ' ' CB ' ' A' ' 4' ' ' DBB . 1.8 t -66.98 153.22 44.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.854 0.359 . . . . 71.33 110.891 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -93.72 141.34 28.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 74.34 111.062 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.6 ptmt -104.25 157.42 17.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.401 0.619 . . . . 73.24 110.89 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' DBB . . . . . 1.339 ' CB ' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 1.402 ' SG ' ' CB ' ' A' ' 18' ' ' ALA . 42.2 t -66.96 84.35 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 118.561 0.619 . . . . 72.34 110.889 -177.432 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -171.13 -36.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 54.32 111.107 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 1.382 ' CB ' ' SG ' ' A' ' 2' ' ' CYS . . . -166.15 -69.46 0.03 OUTLIER 'General case' 0 CA--C 1.594 2.65 0 N-CA-C 107.566 -1.272 . . . . 74.35 107.566 179.788 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.7 t -45.12 -42.38 8.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 72.21 110.847 -178.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 1.339 ' SG ' ' CB ' ' A' ' 11' ' ' DBB . 24.3 m -115.11 136.79 52.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 75.53 110.897 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.82 -23.9 13.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 74.02 111.13 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 1.402 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . . . 75.93 -61.57 0.46 Allowed 'General case' 0 CA--C 1.594 2.638 0 N-CA-C 107.537 -1.283 . . . . 61.43 107.537 179.75 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 21.5 t . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 74.14 110.867 -178.796 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.798 0.332 . . . . 74.55 111.123 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 1.384 ' SG ' ' CB ' ' A' ' 14' ' ' ALA . 0.1 OUTLIER -79.75 -20.79 45.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.297 -0.411 . . . . 74.13 110.896 -179.929 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 100.35 -52.89 0.95 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.747 -0.74 . . . . 61.12 112.45 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' DBB . . . . . 1.33 ' CB ' ' SG ' ' A' ' 8' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -164.41 -36.82 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.756 -0.735 . . . . 65.12 112.521 -177.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -159.9 95.55 1.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.822 0.344 . . . . 75.14 110.846 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.25 45.49 3.79 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.79 -0.719 . . . . 62.53 112.491 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 1.33 ' SG ' ' CB ' ' A' ' 4' ' ' DBB . 5.4 p -119.81 166.65 12.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.834 0.35 . . . . 63.14 110.878 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -98.7 -174.69 2.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 73.25 111.089 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 18.9 mttm -137.19 159.48 41.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.421 0.629 . . . . 71.0 110.919 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' DBB . . . . . 1.334 ' CB ' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 1.399 ' SG ' ' CB ' ' A' ' 18' ' ' ALA . 15.4 t -74.0 83.1 1.74 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 118.503 0.592 . . . . 74.41 110.868 -177.381 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -173.89 -35.06 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 75.21 111.111 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 1.384 ' CB ' ' SG ' ' A' ' 2' ' ' CYS . . . -150.3 -71.4 0.18 Allowed 'General case' 0 CA--C 1.593 2.633 0 N-CA-C 107.576 -1.268 . . . . 61.11 107.576 179.772 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 41.9 t -55.98 -71.66 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 74.44 110.838 -178.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 1.334 ' SG ' ' CB ' ' A' ' 11' ' ' DBB . 3.8 m -82.86 155.88 23.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 73.23 110.882 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -95.84 -8.4 34.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 73.44 111.067 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 1.399 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . . . 74.69 -66.21 0.31 Allowed 'General case' 0 CA--C 1.594 2.654 0 N-CA-C 107.53 -1.285 . . . . 75.21 107.53 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 71.24 110.822 -178.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.828 0.347 . . . . 64.3 111.122 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 1.384 ' SG ' ' CB ' ' A' ' 14' ' ' ALA . 20.7 t -81.12 -26.65 35.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 75.03 110.836 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 92.82 -26.1 16.11 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.758 -0.734 . . . . 74.04 112.537 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' DBB . . . . . 1.331 ' CB ' ' SG ' ' A' ' 8' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -98.34 -140.08 11.19 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.741 -0.742 . . . . 71.43 112.502 -177.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -78.52 138.35 38.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.801 0.334 . . . . 63.15 110.893 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.63 11.82 66.12 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.729 -0.748 . . . . 73.24 112.519 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 1.331 ' SG ' ' CB ' ' A' ' 4' ' ' DBB . 0.5 OUTLIER -66.84 162.51 21.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.837 0.351 . . . . 73.52 110.869 -179.912 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -105.93 177.03 4.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 70.12 111.089 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 50.6 pttt -129.84 153.65 48.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.437 0.637 . . . . 73.3 110.927 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' DBB . . . . . 1.335 ' CB ' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 1.381 ' SG ' ' CB ' ' A' ' 18' ' ' ALA . 42.4 t -65.06 86.5 0.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 118.528 0.604 . . . . 73.25 110.911 -177.419 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -174.33 -36.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 75.25 111.085 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 1.384 ' CB ' ' SG ' ' A' ' 2' ' ' CYS . . . -165.92 -71.55 0.03 OUTLIER 'General case' 0 CA--C 1.593 2.607 0 N-CA-C 107.536 -1.283 . . . . 73.21 107.536 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 26.7 t -44.2 -42.07 6.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 54.14 110.901 -178.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 1.335 ' SG ' ' CB ' ' A' ' 11' ' ' DBB . 27.3 m -115.18 134.6 55.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 74.51 110.876 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.41 -26.92 8.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 64.33 111.108 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 1.381 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . . . 76.25 -61.63 0.45 Allowed 'General case' 0 CA--C 1.594 2.64 0 N-CA-C 107.522 -1.288 . . . . 71.22 107.522 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 28.4 m . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 75.52 110.897 -178.792 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.848 0.356 . . . . 61.32 111.116 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 1.398 ' SG ' ' CB ' ' A' ' 14' ' ' ALA . 1.8 m -104.09 126.21 51.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 53.51 110.866 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -55.9 -27.46 50.6 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.757 -0.735 . . . . 73.22 112.509 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' DBB . . . . . 1.334 ' CB ' ' SG ' ' A' ' 8' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -163.11 -37.11 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.794 -0.717 . . . . 73.23 112.498 -177.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -163.09 85.31 0.52 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.827 0.346 . . . . 71.14 110.886 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.91 42.16 1.04 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.708 -0.758 . . . . 72.02 112.507 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 1.334 ' SG ' ' CB ' ' A' ' 4' ' ' DBB . 2.1 p -123.5 163.71 20.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.861 0.362 . . . . 70.42 110.862 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -97.85 -168.99 1.75 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 62.4 111.158 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 20.2 pttp -137.85 164.47 28.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.421 0.629 . . . . 75.51 110.877 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' DBB . . . . . 1.333 ' CB ' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 1.398 ' SG ' ' CB ' ' A' ' 18' ' ' ALA . 53.9 t -70.15 83.99 0.53 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 118.532 0.605 . . . . 62.24 110.913 -177.453 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -174.36 -35.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 74.24 111.113 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 1.398 ' CB ' ' SG ' ' A' ' 2' ' ' CYS . . . -152.75 -77.65 0.12 Allowed 'General case' 0 CA--C 1.593 2.631 0 N-CA-C 107.531 -1.285 . . . . 72.12 107.531 179.768 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 45.4 t -46.91 -75.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 73.44 110.864 -178.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 1.333 ' SG ' ' CB ' ' A' ' 11' ' ' DBB . 21.8 m -71.63 130.55 41.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.085 -0.507 . . . . 74.2 110.922 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.43 -24.06 11.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 75.0 111.105 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 1.398 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . . . 76.05 -62.21 0.44 Allowed 'General case' 0 CA--C 1.594 2.654 0 N-CA-C 107.55 -1.278 . . . . 64.25 107.55 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 83.1 p . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 61.31 110.871 -178.795 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.799 0.333 . . . . 74.41 111.075 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 1.409 ' SG ' ' CB ' ' A' ' 14' ' ' ALA . 4.7 t -163.98 125.27 2.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 75.04 110.869 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -59.64 -17.36 41.12 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.75 -0.738 . . . . 75.03 112.463 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' DBB . . . . . 1.312 ' CB ' ' SG ' ' A' ' 8' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -80.82 -178.98 52.72 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.772 -0.728 . . . . 44.1 112.498 -177.425 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -65.37 -14.81 61.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.932 0.396 . . . . 73.11 110.912 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.58 15.09 12.92 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.738 -0.744 . . . . 52.1 112.471 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 1.312 ' SG ' ' CB ' ' A' ' 4' ' ' DBB . 0.1 OUTLIER -53.16 156.8 2.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.839 0.352 . . . . 74.31 110.897 -179.913 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -99.29 172.94 7.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 72.15 111.092 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.4 mmtm -118.96 157.58 27.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.417 0.627 . . . . 71.55 110.914 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' DBB . . . . . 1.338 ' CB ' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 1.396 ' SG ' ' CB ' ' A' ' 18' ' ' ALA . 42.0 t -66.53 85.21 0.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 118.534 0.606 . . . . 73.33 110.819 -177.41 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -172.0 -36.52 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 72.25 111.135 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 1.409 ' CB ' ' SG ' ' A' ' 2' ' ' CYS . . . -166.73 -69.33 0.03 OUTLIER 'General case' 0 CA--C 1.593 2.622 0 N-CA-C 107.563 -1.273 . . . . 74.03 107.563 179.786 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 23.8 t -45.27 -42.53 9.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 73.15 110.836 -178.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 1.338 ' SG ' ' CB ' ' A' ' 11' ' ' DBB . 25.1 m -115.0 137.97 51.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.474 . . . . 73.32 110.901 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.93 -23.16 17.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 73.32 111.076 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 1.396 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . . . 75.87 -61.87 0.45 Allowed 'General case' 0 CA--C 1.594 2.668 0 N-CA-C 107.551 -1.277 . . . . 74.32 107.551 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 68.1 m . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 63.43 110.853 -178.778 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.822 0.344 . . . . 52.31 111.085 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 1.379 ' SG ' ' CB ' ' A' ' 14' ' ' ALA . 40.6 t -121.23 126.77 50.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 75.13 110.899 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 4' ' ' DBB . . . -54.22 -39.69 65.12 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.73 -0.748 . . . . 64.3 112.469 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' DBB . . . . . 1.319 ' CB ' ' SG ' ' A' ' 8' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -163.1 -45.36 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.727 -0.749 . . . . 44.54 112.477 -177.419 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -153.39 93.13 1.67 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.837 0.351 . . . . 73.41 110.889 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.41 44.19 3.03 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.736 -0.745 . . . . 72.51 112.47 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 1.319 ' SG ' ' CB ' ' A' ' 4' ' ' DBB . 6.7 p -117.46 159.13 23.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.862 0.363 . . . . 71.44 110.85 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -79.6 159.79 26.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 62.31 111.109 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -111.35 152.17 27.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.413 0.625 . . . . 75.24 110.88 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' DBB . . . . . 1.334 ' CB ' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 1.392 ' SG ' ' CB ' ' A' ' 18' ' ' ALA . 8.2 t -65.06 90.2 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 118.523 0.601 . . . . 75.04 110.894 -177.459 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -179.7 -34.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 75.12 111.094 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 1.379 ' CB ' ' SG ' ' A' ' 2' ' ' CYS . . . -164.42 -69.77 0.04 OUTLIER 'General case' 0 CA--C 1.593 2.614 0 N-CA-C 107.582 -1.266 . . . . 74.0 107.582 179.795 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 35.4 t -50.04 -39.82 43.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.457 . . . . 71.01 110.828 -178.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 1.334 ' SG ' ' CB ' ' A' ' 11' ' ' DBB . 5.1 m -122.95 164.12 19.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 73.53 110.865 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -99.75 -7.97 24.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 73.44 111.089 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 1.392 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . . . 75.01 -67.4 0.25 Allowed 'General case' 0 CA--C 1.593 2.628 0 N-CA-C 107.574 -1.269 . . . . 72.2 107.574 179.813 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 84.1 p . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 74.44 110.863 -178.812 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.822 0.344 . . . . 65.1 111.122 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 1.385 ' SG ' ' CB ' ' A' ' 14' ' ' ALA . 0.5 OUTLIER -80.54 -26.99 37.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 61.23 110.847 -179.914 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 107.09 -43.27 1.72 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.732 -0.747 . . . . 70.3 112.481 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' DBB . . . . . 1.331 ' CB ' ' SG ' ' A' ' 8' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -173.02 81.79 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.738 -0.744 . . . . 64.02 112.474 -177.453 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 61.55 66.48 0.85 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.839 0.352 . . . . 62.52 110.844 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.46 38.58 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.782 -0.723 . . . . 74.14 112.507 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 1.331 ' SG ' ' CB ' ' A' ' 4' ' ' DBB . 1.8 p -133.75 138.75 45.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.814 0.34 . . . . 74.34 110.881 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.58 -176.95 0.51 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 73.2 111.073 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 29.2 pttt -128.95 158.65 38.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.379 0.609 . . . . 73.14 110.916 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' DBB . . . . . 1.332 ' CB ' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 1.403 ' SG ' ' CB ' ' A' ' 18' ' ' ALA . 16.1 t -74.01 87.01 1.83 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 118.542 0.61 . . . . 62.12 110.884 -177.433 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -179.94 -33.92 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 51.42 111.103 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 1.385 ' CB ' ' SG ' ' A' ' 2' ' ' CYS . . . -149.39 -74.89 0.17 Allowed 'General case' 0 CA--C 1.593 2.631 0 N-CA-C 107.571 -1.27 . . . . 73.02 107.571 179.78 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 69.5 m -54.64 -71.48 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 72.55 110.868 -178.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 1.332 ' SG ' ' CB ' ' A' ' 11' ' ' DBB . 3.7 m -83.2 154.47 24.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.079 -0.509 . . . . 64.34 110.892 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -95.02 -8.29 37.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 54.2 111.113 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 1.403 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . . . 74.93 -66.1 0.31 Allowed 'General case' 0 CA--C 1.594 2.643 0 N-CA-C 107.526 -1.287 . . . . 73.04 107.526 179.728 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 27.3 p . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 73.34 110.874 -178.821 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.872 0.367 . . . . 74.43 111.124 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 1.386 ' SG ' ' CB ' ' A' ' 14' ' ' ALA . 0.1 OUTLIER -117.73 -50.07 2.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.264 -0.425 . . . . 71.55 110.916 -179.925 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 95.36 -29.69 9.24 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.752 -0.737 . . . . 72.41 112.464 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' DBB . . . . . 1.307 ' CB ' ' SG ' ' A' ' 8' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -95.83 -141.17 11.6 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.764 -0.731 . . . . 62.51 112.519 -177.484 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -77.59 138.36 39.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.878 0.37 . . . . 73.54 110.855 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 59.48 27.44 63.45 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.688 -0.767 . . . . 73.45 112.475 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 1.307 ' SG ' ' CB ' ' A' ' 4' ' ' DBB . 1.1 t -67.67 165.12 17.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.828 0.347 . . . . 74.42 110.901 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -92.26 -174.46 3.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 72.33 111.121 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.8 mtmm -133.87 160.29 38.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.393 0.616 . . . . 73.35 110.931 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' DBB . . . . . 1.327 ' CB ' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 1.395 ' SG ' ' CB ' ' A' ' 18' ' ' ALA . 33.0 t -61.59 -16.77 51.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 118.525 0.602 . . . . 64.13 110.874 -177.393 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.61 -33.52 75.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 72.24 111.102 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 1.386 ' CB ' ' SG ' ' A' ' 2' ' ' CYS . . . 178.29 164.63 0.74 Allowed 'General case' 0 CA--C 1.593 2.618 0 N-CA-C 107.602 -1.259 . . . . 55.45 107.602 179.774 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.4 ' CB ' ' O ' ' A' ' 14' ' ' ALA . 0.2 OUTLIER 76.75 -53.98 0.58 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 72.5 110.841 -178.775 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 1.327 ' SG ' ' CB ' ' A' ' 11' ' ' DBB . 20.3 m -90.96 160.25 15.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 74.21 110.874 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.36 -10.1 59.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 73.15 111.134 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 1.395 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . . . 74.37 -66.87 0.28 Allowed 'General case' 0 CA--C 1.593 2.612 0 N-CA-C 107.59 -1.263 . . . . 72.33 107.59 179.804 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.2 p . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 75.32 110.883 -178.761 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.861 0.362 . . . . 74.04 111.142 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 1.397 ' SG ' ' CB ' ' A' ' 14' ' ' ALA . 10.3 t -125.07 142.1 51.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 74.31 110.869 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -59.45 -19.02 46.02 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.744 -0.741 . . . . 75.21 112.451 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' DBB . . . . . 1.327 ' CB ' ' SG ' ' A' ' 8' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 169.9 147.29 5.44 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.74 -0.743 . . . . 61.0 112.485 -177.49 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.6 t0 50.95 50.68 18.6 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.785 0.326 . . . . 74.5 110.858 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.33 -6.99 3.68 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.724 -0.751 . . . . 74.55 112.472 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 1.327 ' SG ' ' CB ' ' A' ' 4' ' ' DBB . 35.3 t -87.86 138.22 31.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.788 0.328 . . . . 73.1 110.913 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -118.15 167.71 11.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 75.32 111.15 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 20.6 mmtt -96.6 150.97 20.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.397 0.618 . . . . 73.41 110.901 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' DBB . . . . . 1.323 ' CB ' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 1.385 ' SG ' ' CB ' ' A' ' 18' ' ' ALA . 9.1 t -66.19 89.76 0.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 118.531 0.605 . . . . 70.31 110.856 -177.421 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -178.89 -34.68 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 73.41 111.115 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 1.397 ' CB ' ' SG ' ' A' ' 2' ' ' CYS . . . -162.38 -67.65 0.05 Allowed 'General case' 0 CA--C 1.594 2.666 0 N-CA-C 107.561 -1.274 . . . . 74.1 107.561 179.793 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 62.8 m -52.8 -44.31 66.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 55.24 110.874 -178.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 1.323 ' SG ' ' CB ' ' A' ' 11' ' ' DBB . 4.4 m -118.61 157.43 27.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 72.22 110.877 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -93.61 -7.98 42.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 65.14 111.128 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 1.385 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . . . 74.91 -67.15 0.26 Allowed 'General case' 0 CA--C 1.593 2.624 0 N-CA-C 107.542 -1.281 . . . . 55.23 107.542 179.789 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 30.9 t . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 72.14 110.829 -178.787 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.828 0.347 . . . . 75.44 111.088 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 1.391 ' SG ' ' CB ' ' A' ' 14' ' ' ALA . 12.2 t -155.45 134.88 12.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 73.12 110.9 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -62.5 -15.36 52.74 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.745 -0.741 . . . . 53.15 112.483 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' DBB . . . . . 1.324 ' CB ' ' SG ' ' A' ' 8' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -75.86 -165.79 19.21 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.766 -0.731 . . . . 44.23 112.479 -177.437 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -53.37 -76.04 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.787 0.327 . . . . 72.24 110.88 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.94 51.32 4.54 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.706 -0.759 . . . . 72.03 112.494 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 1.324 ' SG ' ' CB ' ' A' ' 4' ' ' DBB . 1.7 t -69.32 147.57 50.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.797 0.332 . . . . 74.12 110.882 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.46 105.82 3.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 71.41 111.109 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.82 156.5 38.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.394 0.616 . . . . 73.25 110.922 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' DBB . . . . . 1.327 ' CB ' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 1.4 ' SG ' ' CB ' ' A' ' 18' ' ' ALA . 48.6 t -65.2 86.64 0.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 118.481 0.582 . . . . 73.2 110.887 -177.464 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -174.22 -36.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 75.01 111.058 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 1.391 ' CB ' ' SG ' ' A' ' 2' ' ' CYS . . . -165.86 -70.61 0.03 OUTLIER 'General case' 0 CA--C 1.594 2.641 0 N-CA-C 107.554 -1.276 . . . . 63.23 107.554 179.742 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 46.1 m -44.99 -42.53 8.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 73.34 110.877 -178.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 1.327 ' SG ' ' CB ' ' A' ' 11' ' ' DBB . 27.2 m -114.88 138.48 50.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.088 -0.505 . . . . 64.03 110.872 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.0 -21.05 27.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 74.11 111.133 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 1.4 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . . . 76.17 -62.61 0.42 Allowed 'General case' 0 CA--C 1.594 2.659 0 N-CA-C 107.539 -1.282 . . . . 74.43 107.539 179.773 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.7 m . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 74.13 110.878 -178.821 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.823 0.344 . . . . 64.52 111.115 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 1.385 ' SG ' ' CB ' ' A' ' 14' ' ' ALA . 14.2 t -132.89 -41.99 0.91 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 74.51 110.846 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 87.85 -12.75 62.84 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.764 -0.731 . . . . 74.1 112.492 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' DBB . . . . . 1.324 ' CB ' ' SG ' ' A' ' 8' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -102.92 -142.24 12.05 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.747 -0.74 . . . . 70.23 112.514 -177.463 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -72.95 140.18 47.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.864 0.364 . . . . 71.51 110.85 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 51.87 27.24 20.32 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.731 -0.747 . . . . 75.11 112.517 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 1.324 ' SG ' ' CB ' ' A' ' 4' ' ' DBB . 2.0 t -62.5 145.13 55.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.868 0.366 . . . . 75.43 110.827 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.8 153.7 43.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.108 -0.496 . . . . 74.42 111.091 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 26.9 mmtt -109.14 131.64 54.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.415 0.626 . . . . 75.12 110.94 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' DBB . . . . . 1.328 ' CB ' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 1.383 ' SG ' ' CB ' ' A' ' 18' ' ' ALA . 25.8 t -58.97 -18.91 38.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 118.511 0.596 . . . . 64.32 110.851 -177.406 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.59 -34.05 77.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 63.42 111.071 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 1.385 ' CB ' ' SG ' ' A' ' 2' ' ' CYS . . . 177.03 165.16 0.52 Allowed 'General case' 0 CA--C 1.594 2.659 0 N-CA-C 107.498 -1.297 . . . . 65.31 107.498 179.794 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.413 ' CB ' ' O ' ' A' ' 14' ' ' ALA . 0.4 OUTLIER 77.02 -54.45 0.56 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.116 -0.493 . . . . 65.1 110.841 -178.837 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 1.328 ' SG ' ' CB ' ' A' ' 11' ' ' DBB . 34.8 m -88.04 169.19 12.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.162 -0.472 . . . . 74.3 110.92 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -88.5 -11.88 44.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 64.42 111.086 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 1.383 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . . . 73.98 -67.51 0.26 Allowed 'General case' 0 CA--C 1.593 2.605 0 N-CA-C 107.567 -1.272 . . . . 54.24 107.567 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 99.2 p . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 73.31 110.867 -178.802 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.794 0.33 . . . . 73.22 111.117 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 1.389 ' SG ' ' CB ' ' A' ' 14' ' ' ALA . 9.6 t -72.26 -45.65 59.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 74.53 110.877 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 86.26 -10.77 65.16 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.764 -0.731 . . . . 74.12 112.458 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' DBB . . . . . 1.31 ' CB ' ' SG ' ' A' ' 8' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -95.38 -145.6 19.17 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.744 -0.741 . . . . 54.02 112.493 -177.451 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -73.72 138.19 44.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.838 0.351 . . . . 74.52 110.888 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 56.94 22.42 41.73 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.747 -0.74 . . . . 72.34 112.525 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 1.31 ' SG ' ' CB ' ' A' ' 4' ' ' DBB . 2.7 t -55.51 135.65 50.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.783 0.325 . . . . 62.21 110.876 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.09 167.14 5.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 73.11 111.091 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.8 mmtt -120.36 149.08 42.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.369 0.604 . . . . 75.51 110.931 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' DBB . . . . . 1.317 ' CB ' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 1.403 ' SG ' ' CB ' ' A' ' 18' ' ' ALA . 22.5 t -58.78 -19.33 39.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 118.527 0.603 . . . . 54.31 110.878 -177.445 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.83 -34.32 77.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 54.25 111.124 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 1.389 ' CB ' ' SG ' ' A' ' 2' ' ' CYS . . . 175.73 165.7 0.36 Allowed 'General case' 0 CA--C 1.594 2.641 0 N-CA-C 107.572 -1.27 . . . . 63.22 107.572 179.794 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.407 ' CB ' ' O ' ' A' ' 14' ' ' ALA . 0.3 OUTLIER 77.32 -50.58 0.54 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 62.33 110.849 -178.793 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 1.317 ' SG ' ' CB ' ' A' ' 11' ' ' DBB . 34.8 m -92.77 170.65 9.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 72.14 110.889 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -89.49 -10.93 44.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 75.13 111.154 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 1.403 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . . . 73.8 -67.94 0.24 Allowed 'General case' 0 CA--C 1.593 2.634 0 N-CA-C 107.533 -1.284 . . . . 70.52 107.533 179.788 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.1 m . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 73.54 110.876 -178.785 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.854 0.359 . . . . 71.34 111.105 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 1.381 ' SG ' ' CB ' ' A' ' 14' ' ' ALA . 0.1 OUTLIER -70.52 135.52 48.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 71.33 110.878 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -70.19 -8.96 62.91 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.758 -0.734 . . . . 71.55 112.502 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' DBB . . . . . 1.324 ' CB ' ' SG ' ' A' ' 8' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -160.29 -117.04 0.44 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.76 -0.734 . . . . 71.43 112.521 -177.389 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -66.01 89.43 0.12 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.83 0.347 . . . . 73.43 110.844 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 121.69 -14.47 9.19 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.745 -0.74 . . . . 60.34 112.473 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 1.324 ' SG ' ' CB ' ' A' ' 4' ' ' DBB . 33.9 t -73.79 141.41 46.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.841 0.353 . . . . 74.32 110.856 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -105.97 -170.75 1.78 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 74.34 111.119 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.94 156.77 39.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.398 0.618 . . . . 73.24 110.941 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' DBB . . . . . 1.335 ' CB ' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 1.408 ' SG ' ' CB ' ' A' ' 18' ' ' ALA . 13.4 t -73.0 87.48 1.34 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 118.52 0.6 . . . . 73.23 110.913 -177.463 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -178.94 -34.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 65.43 111.092 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 1.381 ' CB ' ' SG ' ' A' ' 2' ' ' CYS . . . -152.01 -71.32 0.16 Allowed 'General case' 0 CA--C 1.594 2.651 0 N-CA-C 107.535 -1.283 . . . . 73.21 107.535 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 30.3 t -55.52 -69.42 0.14 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 75.03 110.881 -178.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 1.335 ' SG ' ' CB ' ' A' ' 11' ' ' DBB . 4.0 m -86.56 157.03 19.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 73.54 110.89 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -95.99 -8.92 32.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 75.24 111.11 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 1.408 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . . . 74.83 -66.2 0.31 Allowed 'General case' 0 CA--C 1.593 2.624 0 N-CA-C 107.624 -1.251 . . . . 73.23 107.624 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.6 p . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.098 -0.501 . . . . 74.42 110.827 -178.786 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.846 0.355 . . . . 73.44 111.08 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 1.402 ' SG ' ' CB ' ' A' ' 14' ' ' ALA . 7.5 m -73.68 -29.29 62.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 73.03 110.857 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 98.28 -39.0 2.88 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.752 -0.737 . . . . 61.44 112.486 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' DBB . . . . . 1.33 ' CB ' ' SG ' ' A' ' 8' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -168.07 -36.09 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.744 -0.741 . . . . 73.21 112.519 -177.456 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -156.84 100.95 1.93 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.833 0.349 . . . . 74.21 110.871 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.42 46.84 7.78 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.747 -0.74 . . . . 60.11 112.506 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 1.33 ' SG ' ' CB ' ' A' ' 4' ' ' DBB . 7.9 p -114.49 161.82 17.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.827 0.346 . . . . 73.15 110.861 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -92.61 163.77 13.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 64.42 111.049 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.94 162.84 16.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.408 0.623 . . . . 74.2 110.909 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' DBB . . . . . 1.329 ' CB ' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 1.387 ' SG ' ' CB ' ' A' ' 18' ' ' ALA . 35.2 t -64.23 -13.18 47.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 118.506 0.594 . . . . 71.03 110.904 -177.448 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -74.13 -29.14 61.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 64.22 111.104 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 1.402 ' CB ' ' SG ' ' A' ' 2' ' ' CYS . . . 176.89 162.84 0.45 Allowed 'General case' 0 CA--C 1.594 2.635 0 N-CA-C 107.599 -1.26 . . . . 62.41 107.599 179.77 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.42 ' CB ' ' O ' ' A' ' 14' ' ' ALA . 1.2 t 77.42 -58.84 0.48 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 72.32 110.861 -178.775 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 1.329 ' SG ' ' CB ' ' A' ' 11' ' ' DBB . 23.1 m -85.95 156.09 20.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 71.54 110.839 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.84 -19.54 61.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 72.03 111.076 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 1.387 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . . . 75.31 -61.8 0.47 Allowed 'General case' 0 CA--C 1.595 2.674 0 N-CA-C 107.551 -1.277 . . . . 63.21 107.551 179.79 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.6 p . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 75.24 110.86 -178.808 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.883 0.373 . . . . 72.44 111.071 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 1.398 ' SG ' ' CB ' ' A' ' 14' ' ' ALA . 8.3 t 67.67 9.64 7.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 63.42 110.897 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 77.06 -50.17 3.01 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.737 -0.744 . . . . 71.14 112.506 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' DBB . . . . . 1.319 ' CB ' ' SG ' ' A' ' 8' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -120.37 -112.24 2.32 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.763 -0.732 . . . . 62.03 112.52 -177.458 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -90.23 137.46 32.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.855 0.36 . . . . 72.34 110.876 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 55.45 46.53 80.38 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.696 -0.764 . . . . 74.12 112.538 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 1.319 ' SG ' ' CB ' ' A' ' 4' ' ' DBB . 0.0 OUTLIER -95.71 162.55 13.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.787 0.327 . . . . 73.03 110.913 -179.892 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -101.03 -169.03 1.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 72.13 111.139 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.5 ptpp? -148.23 163.13 37.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.439 0.638 . . . . 74.34 110.876 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' DBB . . . . . 1.325 ' CB ' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 1.383 ' SG ' ' CB ' ' A' ' 18' ' ' ALA . 46.2 t -71.83 74.38 0.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 118.529 0.604 . . . . 71.21 110.88 -177.462 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -158.29 -38.07 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 74.43 111.122 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 1.398 ' CB ' ' SG ' ' A' ' 2' ' ' CYS . . . -164.8 -67.19 0.04 OUTLIER 'General case' 0 CA--C 1.593 2.622 0 N-CA-C 107.617 -1.253 . . . . 65.32 107.617 179.79 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 60.2 m -45.71 -48.39 15.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 73.04 110.875 -178.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 1.325 ' SG ' ' CB ' ' A' ' 11' ' ' DBB . 21.7 m -107.7 141.95 38.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.102 -0.499 . . . . 72.11 110.863 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.2 -17.49 53.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 63.45 111.052 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 1.383 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . . . 76.01 -63.39 0.4 Allowed 'General case' 0 CA--C 1.594 2.639 0 N-CA-C 107.593 -1.262 . . . . 71.5 107.593 179.775 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.0 t . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 73.44 110.877 -178.865 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.487 -0.245 . . . . 72.25 112.487 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -76.51 131.13 38.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.829 0.347 . . . . 72.41 110.889 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.64 12.02 82.78 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.743 -0.741 . . . . 65.02 112.498 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -53.73 171.07 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.834 0.349 . . . . 55.42 110.904 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -98.09 142.55 29.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 72.24 111.131 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.9 ptmt . . . . . 0 C--N 1.328 -0.35 0 CA-C-O 121.346 0.593 . . . . 72.31 110.948 179.967 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 1.662 ' SG ' ' HB2' ' A' ' 18' ' ' ALA . 8.9 t . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.854 0.359 . . . . 74.14 110.894 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -178.33 -34.87 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.176 -0.466 . . . . 71.24 111.084 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -162.81 -68.22 0.05 OUTLIER 'General case' 0 CA--C 1.593 2.628 0 N-CA-C 107.597 -1.26 . . . . 74.03 107.597 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 72.0 m -51.82 -42.95 62.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 75.53 110.864 -178.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.3 m -120.12 158.53 26.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.478 . . . . 64.25 110.923 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.447 ' O ' ' HB3' ' A' ' 18' ' ' ALA . . . -94.62 -7.53 40.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 53.05 111.122 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 1.662 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . . . 74.94 -67.4 0.25 Allowed 'General case' 0 CA--C 1.594 2.641 0 N-CA-C 107.541 -1.281 . . . . 70.13 107.541 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.9 t . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 73.52 110.855 -178.809 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.498 -0.241 . . . . 53.02 112.498 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -77.4 133.34 38.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.843 0.354 . . . . 74.03 110.907 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.12 12.0 75.42 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.734 -0.746 . . . . 75.05 112.449 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -55.4 172.68 0.14 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.79 0.328 . . . . 64.31 110.9 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -96.86 176.45 5.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 72.53 111.052 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 27.2 pttt . . . . . 0 C--N 1.329 -0.312 0 CA-C-O 121.447 0.641 . . . . 63.41 110.892 179.953 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 1.6 ' SG ' ' HB2' ' A' ' 18' ' ' ALA . 14.5 t . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.807 0.337 . . . . 51.54 110.904 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -178.26 -34.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 65.45 111.054 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -152.85 -69.75 0.15 Allowed 'General case' 0 CA--C 1.593 2.623 0 N-CA-C 107.575 -1.268 . . . . 63.2 107.575 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 75.0 m -56.16 -65.8 0.54 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.16 -0.473 . . . . 71.42 110.855 -178.795 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.8 m -91.87 151.79 20.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.14 -0.482 . . . . 60.13 110.89 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.449 ' O ' ' HB3' ' A' ' 18' ' ' ALA . . . -90.9 -8.33 49.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 71.42 111.095 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 1.6 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . . . 74.88 -66.49 0.29 Allowed 'General case' 0 CA--C 1.593 2.628 0 N-CA-C 107.555 -1.276 . . . . 75.12 107.555 179.762 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.3 p . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 65.1 110.866 -178.815 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.424 ' N ' ' HG ' ' A' ' 8' ' ' CYS . . . . . . . . 0 N--CA 1.451 -0.364 0 N-CA-C 112.515 -0.234 . . . . 65.14 112.515 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -165.19 70.32 0.15 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.855 0.359 . . . . 74.34 110.812 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 134.54 38.68 0.2 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.741 -0.743 . . . . 52.13 112.501 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.424 ' HG ' ' N ' ' A' ' 5' ' ' GLY . 1.8 p -124.71 151.25 45.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.888 0.375 . . . . 72.14 110.847 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -95.75 -177.27 3.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 75.31 111.07 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-O 121.404 0.621 . . . . 71.24 110.872 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 1.592 ' SG ' ' HB2' ' A' ' 18' ' ' ALA . 14.4 t . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.825 0.345 . . . . 34.55 110.904 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -178.67 -34.38 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 70.12 111.17 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -153.28 -69.87 0.15 Allowed 'General case' 0 CA--C 1.593 2.633 0 N-CA-C 107.566 -1.272 . . . . 71.34 107.566 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 33.2 t -56.19 -65.59 0.58 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 71.44 110.856 -178.805 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.9 m -92.11 152.01 20.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.121 -0.491 . . . . 72.34 110.869 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.451 ' O ' ' HB3' ' A' ' 18' ' ' ALA . . . -91.08 -8.7 48.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 54.13 111.102 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 1.592 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . . . 74.89 -66.3 0.3 Allowed 'General case' 0 CA--C 1.593 2.614 0 N-CA-C 107.586 -1.264 . . . . 74.14 107.586 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 34.2 t . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 73.33 110.826 -178.809 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.513 -0.235 . . . . 64.25 112.513 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.68 -8.72 56.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.862 0.363 . . . . 71.11 110.875 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.64 15.52 8.51 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.779 -0.724 . . . . 33.22 112.486 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -52.69 160.34 0.92 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.84 0.352 . . . . 72.44 110.91 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -94.95 -169.08 1.93 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 50.52 111.103 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.9 pptp? . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 121.399 0.619 . . . . 74.13 110.89 179.984 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 1.651 ' SG ' ' HB2' ' A' ' 18' ' ' ALA . 8.6 t . . . . . 0 CA--C 1.527 0.063 0 CA-C-O 120.84 0.353 . . . . 64.4 110.885 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -174.11 -35.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 73.11 111.118 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -162.6 -65.92 0.05 OUTLIER 'General case' 0 CA--C 1.593 2.609 0 N-CA-C 107.57 -1.271 . . . . 65.4 107.57 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 28.4 t -52.92 -46.46 68.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 55.21 110.804 -178.748 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 5.0 m -115.23 162.73 16.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.151 -0.477 . . . . 64.35 110.877 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.452 ' O ' ' HB3' ' A' ' 18' ' ' ALA . . . -98.15 -8.03 28.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 43.45 111.104 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 1.651 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . . . 74.82 -67.44 0.25 Allowed 'General case' 0 CA--C 1.593 2.629 0 N-CA-C 107.568 -1.271 . . . . 74.3 107.568 179.761 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 74.21 110.865 -178.79 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.485 -0.246 . . . . 43.04 112.485 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -78.13 132.49 37.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.832 0.348 . . . . 64.22 110.886 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 76.23 5.59 81.63 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.754 -0.736 . . . . 72.5 112.524 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -52.03 166.87 0.14 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.849 0.357 . . . . 75.44 110.895 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -103.64 144.62 31.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 72.32 111.089 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.0 ptpp? . . . . . 0 C--N 1.328 -0.338 0 CA-C-O 121.392 0.615 . . . . 64.23 110.953 179.959 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 1.487 ' SG ' ' HB1' ' A' ' 18' ' ' ALA . 42.5 t . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.829 0.347 . . . . 72.22 110.885 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -172.13 -36.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.477 . . . . 74.22 111.065 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -166.55 -70.4 0.03 OUTLIER 'General case' 0 CA--C 1.594 2.646 0 N-CA-C 107.56 -1.274 . . . . 70.05 107.56 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.5 t -44.18 -41.35 5.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 73.43 110.864 -178.827 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 25.0 m -116.63 136.53 52.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 61.44 110.843 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.458 ' O ' ' HB3' ' A' ' 18' ' ' ALA . . . -52.79 -25.4 11.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 61.34 111.104 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 1.487 ' HB1' ' SG ' ' A' ' 12' ' ' CYS . . . 75.96 -61.69 0.45 Allowed 'General case' 0 CA--C 1.593 2.63 0 N-CA-C 107.586 -1.264 . . . . 63.51 107.586 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 43.2 t . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.49 . . . . 73.11 110.859 -178.816 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.434 -0.266 . . . . 25.33 112.434 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -76.43 141.17 41.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.827 0.346 . . . . 72.13 110.889 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.32 16.87 55.22 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.747 -0.74 . . . . 55.12 112.508 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.8 t -66.98 153.22 44.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.854 0.359 . . . . 71.33 110.891 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -93.72 141.34 28.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 74.34 111.062 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.6 ptmt . . . . . 0 C--N 1.329 -0.315 0 CA-C-O 121.401 0.619 . . . . 73.24 110.89 179.98 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 1.464 ' SG ' ' HB1' ' A' ' 18' ' ' ALA . 42.2 t . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.848 0.356 . . . . 71.12 110.889 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -171.13 -36.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 54.32 111.107 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -166.15 -69.46 0.03 OUTLIER 'General case' 0 CA--C 1.594 2.65 0 N-CA-C 107.566 -1.272 . . . . 70.12 107.566 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.7 t -45.12 -42.38 8.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 54.43 110.847 -178.817 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 24.3 m -115.11 136.79 52.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 62.32 110.897 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.457 ' O ' ' HB3' ' A' ' 18' ' ' ALA . . . -53.82 -23.9 13.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 55.43 111.13 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 1.464 ' HB1' ' SG ' ' A' ' 12' ' ' CYS . . . 75.93 -61.57 0.46 Allowed 'General case' 0 CA--C 1.594 2.638 0 N-CA-C 107.537 -1.283 . . . . 61.43 107.537 179.75 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 21.5 t . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 74.14 110.867 -178.796 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.531 ' N ' ' HG ' ' A' ' 8' ' ' CYS . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.521 -0.232 . . . . 65.12 112.521 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -159.9 95.55 1.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.822 0.344 . . . . 75.14 110.846 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.25 45.49 3.79 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.79 -0.719 . . . . 62.53 112.491 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.531 ' HG ' ' N ' ' A' ' 5' ' ' GLY . 5.4 p -119.81 166.65 12.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.834 0.35 . . . . 34.44 110.878 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -98.7 -174.69 2.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 73.25 111.089 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 18.9 mttm . . . . . 0 C--N 1.328 -0.33 0 CA-C-O 121.421 0.629 . . . . 71.0 110.919 179.917 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 1.571 ' SG ' ' HB2' ' A' ' 18' ' ' ALA . 15.4 t . . . . . 0 N--CA 1.458 -0.062 0 CA-C-O 120.816 0.341 . . . . 71.53 110.868 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -173.89 -35.06 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 52.45 111.111 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -150.3 -71.4 0.18 Allowed 'General case' 0 CA--C 1.593 2.633 0 N-CA-C 107.576 -1.268 . . . . 61.11 107.576 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 41.9 t -55.98 -71.66 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 64.43 110.838 -178.804 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.8 m -82.86 155.88 23.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 73.23 110.882 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.444 ' O ' ' HB3' ' A' ' 18' ' ' ALA . . . -95.84 -8.4 34.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 63.43 111.067 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 1.571 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . . . 74.69 -66.21 0.31 Allowed 'General case' 0 CA--C 1.594 2.654 0 N-CA-C 107.53 -1.285 . . . . 75.21 107.53 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 71.24 110.822 -178.776 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.502 -0.239 . . . . 71.43 112.502 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -78.52 138.35 38.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.801 0.334 . . . . 62.32 110.893 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.63 11.82 66.12 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.729 -0.748 . . . . 64.13 112.519 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -66.84 162.51 21.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.837 0.351 . . . . 73.52 110.869 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -105.93 177.03 4.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 53.41 111.089 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 50.6 pttt . . . . . 0 C--N 1.329 -0.326 0 CA-C-O 121.437 0.637 . . . . 73.3 110.927 179.941 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 1.491 ' SG ' ' HB1' ' A' ' 18' ' ' ALA . 42.4 t . . . . . 0 N--CA 1.458 -0.068 0 CA-C-O 120.884 0.373 . . . . 73.25 110.911 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -174.33 -36.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 75.25 111.085 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -165.92 -71.55 0.03 OUTLIER 'General case' 0 CA--C 1.593 2.607 0 N-CA-C 107.536 -1.283 . . . . 64.43 107.536 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 26.7 t -44.2 -42.07 6.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 52.51 110.901 -178.808 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 27.3 m -115.18 134.6 55.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 74.51 110.876 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.463 ' O ' ' HB3' ' A' ' 18' ' ' ALA . . . -51.41 -26.92 8.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 64.33 111.108 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 1.491 ' HB1' ' SG ' ' A' ' 12' ' ' CYS . . . 76.25 -61.63 0.45 Allowed 'General case' 0 CA--C 1.594 2.64 0 N-CA-C 107.522 -1.288 . . . . 71.22 107.522 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 28.4 m . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 73.12 110.897 -178.792 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.497 ' N ' ' HG ' ' A' ' 8' ' ' CYS . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.498 -0.241 . . . . 64.31 112.498 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -163.09 85.31 0.52 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.827 0.346 . . . . 71.14 110.886 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.91 42.16 1.04 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.708 -0.758 . . . . 61.44 112.507 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.497 ' HG ' ' N ' ' A' ' 5' ' ' GLY . 2.1 p -123.5 163.71 20.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.861 0.362 . . . . 61.11 110.862 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -97.85 -168.99 1.75 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 62.4 111.158 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 20.2 pttp . . . . . 0 C--N 1.328 -0.349 0 CA-C-O 121.421 0.629 . . . . 63.43 110.877 179.991 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 1.448 ' SG ' ' HB1' ' A' ' 18' ' ' ALA . 53.9 t . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.867 0.365 . . . . 62.24 110.913 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -174.36 -35.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 74.24 111.113 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -152.75 -77.65 0.12 Allowed 'General case' 0 CA--C 1.593 2.631 0 N-CA-C 107.531 -1.285 . . . . 53.4 107.531 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 45.4 t -46.91 -75.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 72.11 110.864 -178.802 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 21.8 m -71.63 130.55 41.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.085 -0.507 . . . . 74.2 110.922 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.46 ' O ' ' HB3' ' A' ' 18' ' ' ALA . . . -53.43 -24.06 11.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 63.32 111.105 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 1.448 ' HB1' ' SG ' ' A' ' 12' ' ' CYS . . . 76.05 -62.21 0.44 Allowed 'General case' 0 CA--C 1.594 2.654 0 N-CA-C 107.55 -1.278 . . . . 61.24 107.55 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 83.1 p . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 61.31 110.871 -178.795 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.498 -0.241 . . . . 25.0 112.498 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -65.37 -14.81 61.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.932 0.396 . . . . 64.22 110.912 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.58 15.09 12.92 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.738 -0.744 . . . . 43.5 112.471 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -53.16 156.8 2.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.839 0.352 . . . . 52.45 110.897 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -99.29 172.94 7.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 72.15 111.092 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.4 mmtm . . . . . 0 C--N 1.328 -0.337 0 CA-C-O 121.417 0.627 . . . . 71.21 110.914 179.939 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 1.467 ' SG ' ' HB1' ' A' ' 18' ' ' ALA . 42.0 t . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.828 0.347 . . . . 73.33 110.819 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -172.0 -36.52 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 70.24 111.135 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -166.73 -69.33 0.03 OUTLIER 'General case' 0 CA--C 1.593 2.622 0 N-CA-C 107.563 -1.273 . . . . 74.03 107.563 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 23.8 t -45.27 -42.53 9.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 73.15 110.836 -178.812 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 25.1 m -115.0 137.97 51.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.474 . . . . 73.32 110.901 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.452 ' O ' ' HB3' ' A' ' 18' ' ' ALA . . . -54.93 -23.16 17.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 65.32 111.076 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 1.467 ' HB1' ' SG ' ' A' ' 12' ' ' CYS . . . 75.87 -61.87 0.45 Allowed 'General case' 0 CA--C 1.594 2.668 0 N-CA-C 107.551 -1.277 . . . . 74.32 107.551 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 68.1 m . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 52.01 110.853 -178.778 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.518 ' N ' ' HG ' ' A' ' 8' ' ' CYS . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.477 -0.249 . . . . 44.54 112.477 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -153.39 93.13 1.67 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.837 0.351 . . . . 73.41 110.889 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.41 44.19 3.03 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.736 -0.745 . . . . 72.51 112.47 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.518 ' HG ' ' N ' ' A' ' 5' ' ' GLY . 6.7 p -117.46 159.13 23.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.862 0.363 . . . . 62.41 110.85 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -79.6 159.79 26.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 54.11 111.109 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-O 121.413 0.625 . . . . 75.24 110.88 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 1.638 ' SG ' ' HB2' ' A' ' 18' ' ' ALA . 8.2 t . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.813 0.34 . . . . 75.04 110.894 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -179.7 -34.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 75.12 111.094 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -164.42 -69.77 0.04 OUTLIER 'General case' 0 CA--C 1.593 2.614 0 N-CA-C 107.582 -1.266 . . . . 74.0 107.582 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 35.4 t -50.04 -39.82 43.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.457 . . . . 71.01 110.828 -178.81 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 5.1 m -122.95 164.12 19.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 72.3 110.865 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.456 ' O ' ' HB3' ' A' ' 18' ' ' ALA . . . -99.75 -7.97 24.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 72.1 111.089 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 1.638 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . . . 75.01 -67.4 0.25 Allowed 'General case' 0 CA--C 1.593 2.628 0 N-CA-C 107.574 -1.269 . . . . 61.0 107.574 179.813 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 84.1 p . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 74.44 110.863 -178.812 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.573 ' N ' ' HG ' ' A' ' 8' ' ' CYS . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.474 -0.251 . . . . 64.02 112.474 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 61.55 66.48 0.85 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.839 0.352 . . . . 53.24 110.844 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.46 38.58 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.782 -0.723 . . . . 71.15 112.507 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.573 ' HG ' ' N ' ' A' ' 5' ' ' GLY . 1.8 p -133.75 138.75 45.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.814 0.34 . . . . 74.34 110.881 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.58 -176.95 0.51 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 54.15 111.073 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 29.2 pttt . . . . . 0 C--N 1.329 -0.289 0 CA-C-O 121.379 0.609 . . . . 73.14 110.916 179.991 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 1.562 ' SG ' ' HB2' ' A' ' 18' ' ' ALA . 16.1 t . . . . . 0 N--CA 1.457 -0.082 0 CA-C-O 120.886 0.374 . . . . 62.12 110.884 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -179.94 -33.92 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 51.35 111.103 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -149.39 -74.89 0.17 Allowed 'General case' 0 CA--C 1.593 2.631 0 N-CA-C 107.571 -1.27 . . . . 60.01 107.571 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 69.5 m -54.64 -71.48 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 72.55 110.868 -178.825 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.7 m -83.2 154.47 24.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.079 -0.509 . . . . 43.12 110.892 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.446 ' O ' ' HB3' ' A' ' 18' ' ' ALA . . . -95.02 -8.29 37.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 30.2 111.113 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 1.562 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . . . 74.93 -66.1 0.31 Allowed 'General case' 0 CA--C 1.594 2.643 0 N-CA-C 107.526 -1.287 . . . . 73.04 107.526 179.728 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 27.3 p . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 73.34 110.874 -178.821 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.519 -0.233 . . . . 62.51 112.519 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -77.59 138.36 39.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.878 0.37 . . . . 73.54 110.855 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 59.48 27.44 63.45 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.688 -0.767 . . . . 73.45 112.475 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.1 t -67.67 165.12 17.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.828 0.347 . . . . 74.42 110.901 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -92.26 -174.46 3.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 72.33 111.121 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.8 mtmm . . . . . 0 C--N 1.328 -0.357 0 CA-C-O 121.393 0.616 . . . . 63.42 110.931 179.986 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 1.395 ' SG ' ' CB ' ' A' ' 18' ' ' ALA . 33.0 t . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.87 0.367 . . . . 64.13 110.874 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.61 -33.52 75.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 72.24 111.102 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.4 ' O ' ' CB ' ' A' ' 15' ' ' SER . . . 178.29 164.63 0.74 Allowed 'General case' 0 CA--C 1.593 2.618 0 N-CA-C 107.602 -1.259 . . . . 55.45 107.602 179.774 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.4 ' CB ' ' O ' ' A' ' 14' ' ' ALA . 0.2 OUTLIER 76.75 -53.98 0.58 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 42.33 110.841 -178.775 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 20.3 m -90.96 160.25 15.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 74.21 110.874 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.443 ' O ' ' HB3' ' A' ' 18' ' ' ALA . . . -80.36 -10.1 59.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 73.15 111.134 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 1.395 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . . . 74.37 -66.87 0.28 Allowed 'General case' 0 CA--C 1.593 2.612 0 N-CA-C 107.59 -1.263 . . . . 53.45 107.59 179.804 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.2 p . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 75.32 110.883 -178.761 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.485 -0.246 . . . . 43.11 112.485 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.6 t0 50.95 50.68 18.6 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.785 0.326 . . . . 74.5 110.858 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.33 -6.99 3.68 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.724 -0.751 . . . . 50.04 112.472 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 35.3 t -87.86 138.22 31.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.788 0.328 . . . . 73.1 110.913 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -118.15 167.71 11.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 75.32 111.15 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 20.6 mmtt . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 121.397 0.618 . . . . 73.41 110.901 179.975 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 1.606 ' SG ' ' HB2' ' A' ' 18' ' ' ALA . 9.1 t . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.847 0.356 . . . . 70.31 110.856 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -178.89 -34.68 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 73.41 111.115 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -162.38 -67.65 0.05 Allowed 'General case' 0 CA--C 1.594 2.666 0 N-CA-C 107.561 -1.274 . . . . 63.45 107.561 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 62.8 m -52.8 -44.31 66.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 51.15 110.874 -178.818 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.4 m -118.61 157.43 27.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 72.22 110.877 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.447 ' O ' ' HB3' ' A' ' 18' ' ' ALA . . . -93.61 -7.98 42.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 65.14 111.128 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 1.606 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . . . 74.91 -67.15 0.26 Allowed 'General case' 0 CA--C 1.593 2.624 0 N-CA-C 107.542 -1.281 . . . . 55.23 107.542 179.789 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 30.9 t . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 71.14 110.829 -178.787 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.479 -0.248 . . . . 44.23 112.479 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -53.37 -76.04 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.787 0.327 . . . . 72.24 110.88 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.94 51.32 4.54 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.706 -0.759 . . . . 72.03 112.494 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.7 t -69.32 147.57 50.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.797 0.332 . . . . 74.12 110.882 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.46 105.82 3.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 63.14 111.109 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 121.394 0.616 . . . . 73.25 110.922 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 1.4 ' SG ' ' CB ' ' A' ' 18' ' ' ALA . 48.6 t . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.8 0.333 . . . . 62.13 110.887 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -174.22 -36.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 75.01 111.058 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -165.86 -70.61 0.03 OUTLIER 'General case' 0 CA--C 1.594 2.641 0 N-CA-C 107.554 -1.276 . . . . 55.13 107.554 179.742 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 46.1 m -44.99 -42.53 8.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 73.34 110.877 -178.818 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 27.2 m -114.88 138.48 50.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.088 -0.505 . . . . 64.03 110.872 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.47 ' O ' ' HB3' ' A' ' 18' ' ' ALA . . . -57.0 -21.05 27.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 72.44 111.133 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 1.4 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . . . 76.17 -62.61 0.42 Allowed 'General case' 0 CA--C 1.594 2.659 0 N-CA-C 107.539 -1.282 . . . . 52.15 107.539 179.773 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.7 m . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 62.41 110.878 -178.821 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.514 -0.234 . . . . 70.23 112.514 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -72.95 140.18 47.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.864 0.364 . . . . 71.51 110.85 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 51.87 27.24 20.32 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.731 -0.747 . . . . 61.25 112.517 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 2.0 t -62.5 145.13 55.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.868 0.366 . . . . 75.43 110.827 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.672 ' HB3' ' HB3' ' A' ' 14' ' ' ALA . . . -67.8 153.7 43.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.108 -0.496 . . . . 71.33 111.091 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 26.9 mmtt . . . . . 0 C--N 1.328 -0.357 0 CA-C-O 121.415 0.626 . . . . 72.4 110.94 179.913 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 1.383 ' SG ' ' CB ' ' A' ' 18' ' ' ALA . 25.8 t . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.834 0.349 . . . . 64.32 110.851 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.574 ' CB ' ' HB1' ' A' ' 9' ' ' ALA . . . -64.59 -34.05 77.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 42.54 111.071 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.672 ' HB3' ' HB3' ' A' ' 9' ' ' ALA . . . 177.03 165.16 0.52 Allowed 'General case' 0 CA--C 1.594 2.659 0 N-CA-C 107.498 -1.297 . . . . 65.31 107.498 179.794 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.413 ' CB ' ' O ' ' A' ' 14' ' ' ALA . 0.4 OUTLIER 77.02 -54.45 0.56 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.116 -0.493 . . . . 61.42 110.841 -178.837 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 34.8 m -88.04 169.19 12.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.162 -0.472 . . . . 74.3 110.92 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.429 ' O ' ' HB3' ' A' ' 18' ' ' ALA . . . -88.5 -11.88 44.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 62.43 111.086 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 1.383 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . . . 73.98 -67.51 0.26 Allowed 'General case' 0 CA--C 1.593 2.605 0 N-CA-C 107.567 -1.272 . . . . 54.24 107.567 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 99.2 p . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 73.31 110.867 -178.802 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.493 -0.243 . . . . 52.44 112.493 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -73.72 138.19 44.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.838 0.351 . . . . 74.52 110.888 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 56.94 22.42 41.73 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.747 -0.74 . . . . 72.34 112.525 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 2.7 t -55.51 135.65 50.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.783 0.325 . . . . 62.21 110.876 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.506 ' HB1' ' CB ' ' A' ' 13' ' ' ALA . . . -63.09 167.14 5.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 51.34 111.091 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.8 mmtt . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 121.369 0.604 . . . . 75.51 110.931 179.92 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 1.403 ' SG ' ' CB ' ' A' ' 18' ' ' ALA . 22.5 t . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.848 0.356 . . . . 53.4 110.878 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.506 ' CB ' ' HB1' ' A' ' 9' ' ' ALA . . . -63.83 -34.32 77.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 54.25 111.124 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.407 ' HB3' ' HB3' ' A' ' 9' ' ' ALA . . . 175.73 165.7 0.36 Allowed 'General case' 0 CA--C 1.594 2.641 0 N-CA-C 107.572 -1.27 . . . . 63.22 107.572 179.794 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.407 ' CB ' ' O ' ' A' ' 14' ' ' ALA . 0.3 OUTLIER 77.32 -50.58 0.54 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 44.11 110.849 -178.793 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 34.8 m -92.77 170.65 9.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 72.14 110.889 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.435 ' O ' ' HB3' ' A' ' 18' ' ' ALA . . . -89.49 -10.93 44.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 63.11 111.154 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 1.403 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . . . 73.8 -67.94 0.24 Allowed 'General case' 0 CA--C 1.593 2.634 0 N-CA-C 107.533 -1.284 . . . . 64.12 107.533 179.788 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.1 m . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 65.14 110.876 -178.785 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.521 -0.232 . . . . 52.45 112.521 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -66.01 89.43 0.12 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.83 0.347 . . . . 73.43 110.844 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 121.69 -14.47 9.19 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.745 -0.74 . . . . 51.24 112.473 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 33.9 t -73.79 141.41 46.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.841 0.353 . . . . 74.32 110.856 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -105.97 -170.75 1.78 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 74.34 111.119 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-O 121.398 0.618 . . . . 62.22 110.941 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 1.604 ' SG ' ' HB2' ' A' ' 18' ' ' ALA . 13.4 t . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.845 0.355 . . . . 73.23 110.913 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -178.94 -34.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 65.13 111.092 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -152.01 -71.32 0.16 Allowed 'General case' 0 CA--C 1.594 2.651 0 N-CA-C 107.535 -1.283 . . . . 54.34 107.535 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 30.3 t -55.52 -69.42 0.14 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 75.03 110.881 -178.84 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.0 m -86.56 157.03 19.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 73.54 110.89 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.453 ' O ' ' HB3' ' A' ' 18' ' ' ALA . . . -95.99 -8.92 32.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 75.24 111.11 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 1.604 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . . . 74.83 -66.2 0.31 Allowed 'General case' 0 CA--C 1.593 2.624 0 N-CA-C 107.624 -1.251 . . . . 73.23 107.624 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.6 p . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.098 -0.501 . . . . 74.42 110.827 -178.786 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.5 ' N ' ' HG ' ' A' ' 8' ' ' CYS . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.519 -0.232 . . . . 51.24 112.519 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -156.84 100.95 1.93 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.833 0.349 . . . . 74.21 110.871 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.42 46.84 7.78 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.747 -0.74 . . . . 60.11 112.506 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.5 ' HG ' ' N ' ' A' ' 5' ' ' GLY . 7.9 p -114.49 161.82 17.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.827 0.346 . . . . 73.15 110.861 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.485 ' O ' ' HB3' ' A' ' 14' ' ' ALA . . . -92.61 163.77 13.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 63.43 111.049 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 121.408 0.623 . . . . 73.52 110.909 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 1.466 ' SG ' ' HB1' ' A' ' 18' ' ' ALA . 35.2 t . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.851 0.357 . . . . 71.03 110.904 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -74.13 -29.14 61.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 31.43 111.104 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.485 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . 176.89 162.84 0.45 Allowed 'General case' 0 CA--C 1.594 2.635 0 N-CA-C 107.599 -1.26 . . . . 52.24 107.599 179.77 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.42 ' CB ' ' O ' ' A' ' 14' ' ' ALA . 1.2 t 77.42 -58.84 0.48 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 72.32 110.861 -178.775 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 23.1 m -85.95 156.09 20.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 65.22 110.839 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.458 ' O ' ' HB3' ' A' ' 18' ' ' ALA . . . -72.84 -19.54 61.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 72.03 111.076 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 1.466 ' HB1' ' SG ' ' A' ' 12' ' ' CYS . . . 75.31 -61.8 0.47 Allowed 'General case' 0 CA--C 1.595 2.674 0 N-CA-C 107.551 -1.277 . . . . 63.21 107.551 179.79 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.6 p . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 62.51 110.86 -178.808 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 N-CA-C 112.52 -0.232 . . . . 62.03 112.52 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -90.23 137.46 32.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.855 0.36 . . . . 72.34 110.876 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 55.45 46.53 80.38 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.696 -0.764 . . . . 74.12 112.538 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -95.71 162.55 13.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.787 0.327 . . . . 52.04 110.913 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -101.03 -169.03 1.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 72.11 111.139 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.5 ptpp? . . . . . 0 C--N 1.328 -0.345 0 CA-C-O 121.439 0.638 . . . . 65.14 110.876 179.959 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 1.383 ' SG ' ' CB ' ' A' ' 18' ' ' ALA . 46.2 t . . . . . 0 N--CA 1.458 -0.071 0 CA-C-O 120.822 0.344 . . . . 44.41 110.88 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -158.29 -38.07 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 74.43 111.122 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -164.8 -67.19 0.04 OUTLIER 'General case' 0 CA--C 1.593 2.622 0 N-CA-C 107.617 -1.253 . . . . 65.32 107.617 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 60.2 m -45.71 -48.39 15.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 63.02 110.875 -178.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 21.7 m -107.7 141.95 38.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.102 -0.499 . . . . 72.11 110.863 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.459 ' O ' ' HB3' ' A' ' 18' ' ' ALA . . . -61.2 -17.49 53.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 44.44 111.052 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 1.383 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . . . 76.01 -63.39 0.4 Allowed 'General case' 0 CA--C 1.594 2.639 0 N-CA-C 107.593 -1.262 . . . . 71.5 107.593 179.775 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.0 t . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 73.44 110.877 -178.865 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.845 0.355 . . . . 71.14 111.108 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 1.603 ' SG ' ' HB1' ' A' ' 14' ' ' ALA . 4.3 t -156.48 126.59 6.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 75.23 110.879 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -61.05 -17.71 52.6 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.728 -0.749 . . . . 74.23 112.462 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' DBB . . . . . 1.671 ' HB3' ' SG ' ' A' ' 8' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -90.89 -149.95 23.99 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.686 -0.769 . . . . 72.25 112.487 -177.454 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -76.51 131.13 38.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.829 0.347 . . . . 72.41 110.889 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.64 12.02 82.78 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.743 -0.741 . . . . 65.02 112.498 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 1.671 ' SG ' ' HB3' ' A' ' 4' ' ' DBB . 0.6 OUTLIER -53.73 171.07 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.834 0.349 . . . . 55.42 110.904 -179.906 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -98.09 142.55 29.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 72.24 111.131 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.9 ptmt -106.52 153.33 22.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.346 0.593 . . . . 72.31 110.948 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' DBB . . . . . 1.653 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 1.662 ' SG ' ' HB2' ' A' ' 18' ' ' ALA . 8.9 t -66.26 89.37 0.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 118.604 0.638 . . . . 74.14 110.894 -177.456 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -178.33 -34.87 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.176 -0.466 . . . . 71.24 111.084 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 1.603 ' HB1' ' SG ' ' A' ' 2' ' ' CYS . . . -162.81 -68.22 0.05 OUTLIER 'General case' 0 CA--C 1.593 2.628 0 N-CA-C 107.597 -1.26 . . . . 74.03 107.597 179.79 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 72.0 m -51.82 -42.95 62.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 75.53 110.864 -178.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 1.653 ' SG ' ' HB3' ' A' ' 11' ' ' DBB . 4.3 m -120.12 158.53 26.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.478 . . . . 64.25 110.923 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.447 ' O ' ' HB3' ' A' ' 18' ' ' ALA . . . -94.62 -7.53 40.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 53.05 111.122 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 1.662 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . . . 74.94 -67.4 0.25 Allowed 'General case' 0 CA--C 1.594 2.641 0 N-CA-C 107.541 -1.281 . . . . 70.13 107.541 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.9 t . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 73.52 110.855 -178.809 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.833 0.349 . . . . 72.3 111.145 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 1.391 ' SG ' ' CB ' ' A' ' 14' ' ' ALA . 3.4 t -74.52 -45.89 42.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 35.44 110.888 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 95.05 -22.55 37.75 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.725 -0.75 . . . . 72.23 112.446 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' DBB . . . . . 1.654 ' HB3' ' SG ' ' A' ' 8' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -92.66 -147.22 20.92 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.725 -0.75 . . . . 53.02 112.498 -177.418 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -77.4 133.34 38.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.843 0.354 . . . . 74.03 110.907 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.12 12.0 75.42 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.734 -0.746 . . . . 75.05 112.449 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 1.654 ' SG ' ' HB3' ' A' ' 4' ' ' DBB . 0.5 OUTLIER -55.4 172.68 0.14 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.79 0.328 . . . . 64.31 110.9 -179.855 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -96.86 176.45 5.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 72.53 111.052 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 27.2 pttt -134.6 158.27 44.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.447 0.641 . . . . 63.41 110.892 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' DBB . . . . . 1.766 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 1.6 ' SG ' ' HB2' ' A' ' 18' ' ' ALA . 14.5 t -71.63 87.5 0.93 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 118.488 0.585 . . . . 51.54 110.904 -177.449 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -178.26 -34.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 65.45 111.054 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 1.391 ' CB ' ' SG ' ' A' ' 2' ' ' CYS . . . -152.85 -69.75 0.15 Allowed 'General case' 0 CA--C 1.593 2.623 0 N-CA-C 107.575 -1.268 . . . . 63.2 107.575 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 75.0 m -56.16 -65.8 0.54 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.16 -0.473 . . . . 71.42 110.855 -178.795 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 1.766 ' SG ' ' HB3' ' A' ' 11' ' ' DBB . 3.8 m -91.87 151.79 20.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.14 -0.482 . . . . 60.13 110.89 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.449 ' O ' ' HB3' ' A' ' 18' ' ' ALA . . . -90.9 -8.33 49.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 71.42 111.095 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 1.6 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . . . 74.88 -66.49 0.29 Allowed 'General case' 0 CA--C 1.593 2.628 0 N-CA-C 107.555 -1.276 . . . . 75.12 107.555 179.762 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.3 p . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 65.1 110.866 -178.815 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.872 0.368 . . . . 71.15 111.08 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 1.379 ' SG ' ' CB ' ' A' ' 14' ' ' ALA . 0.1 OUTLIER -110.43 125.83 53.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 62.32 110.886 -179.947 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -53.78 -26.26 32.25 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.672 -0.775 . . . . 74.22 112.525 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' DBB . . . . . 1.679 ' HB3' ' SG ' ' A' ' 8' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -169.24 -35.54 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.767 -0.73 . . . . 65.14 112.515 -177.43 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -165.19 70.32 0.15 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.855 0.359 . . . . 74.34 110.812 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 134.54 38.68 0.2 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.741 -0.743 . . . . 52.13 112.501 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 1.679 ' SG ' ' HB3' ' A' ' 4' ' ' DBB . 1.8 p -124.71 151.25 45.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.888 0.375 . . . . 72.14 110.847 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -95.75 -177.27 3.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 75.31 111.07 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.68 155.41 29.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.404 0.621 . . . . 71.24 110.872 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' DBB . . . . . 1.704 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 1.592 ' SG ' ' HB2' ' A' ' 18' ' ' ALA . 14.4 t -71.36 87.66 0.86 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 118.539 0.609 . . . . 34.55 110.904 -177.45 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -178.67 -34.38 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 70.12 111.17 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 1.379 ' CB ' ' SG ' ' A' ' 2' ' ' CYS . . . -153.28 -69.87 0.15 Allowed 'General case' 0 CA--C 1.593 2.633 0 N-CA-C 107.566 -1.272 . . . . 71.34 107.566 179.796 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 33.2 t -56.19 -65.59 0.58 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 71.44 110.856 -178.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 1.704 ' SG ' ' HB3' ' A' ' 11' ' ' DBB . 3.9 m -92.11 152.01 20.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.121 -0.491 . . . . 72.34 110.869 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.451 ' O ' ' HB3' ' A' ' 18' ' ' ALA . . . -91.08 -8.7 48.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 54.13 111.102 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 1.592 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . . . 74.89 -66.3 0.3 Allowed 'General case' 0 CA--C 1.593 2.614 0 N-CA-C 107.586 -1.264 . . . . 74.14 107.586 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 34.2 t . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 73.33 110.826 -178.809 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.796 0.331 . . . . 53.23 111.116 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 1.625 ' SG ' ' HB1' ' A' ' 14' ' ' ALA . 4.0 t -83.51 122.59 28.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 61.22 110.916 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -60.81 -16.1 44.8 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.764 -0.731 . . . . 61.4 112.53 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' DBB . . . . . 1.703 ' HB3' ' SG ' ' A' ' 8' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.23 -173.6 21.39 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.751 -0.738 . . . . 64.25 112.513 -177.471 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.68 -8.72 56.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.862 0.363 . . . . 71.11 110.875 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.64 15.52 8.51 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.779 -0.724 . . . . 33.22 112.486 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 1.703 ' SG ' ' HB3' ' A' ' 4' ' ' DBB . 0.1 OUTLIER -52.69 160.34 0.92 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.84 0.352 . . . . 72.44 110.91 -179.927 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -94.95 -169.08 1.93 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 50.52 111.103 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.9 pptp? -136.81 155.84 49.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.399 0.619 . . . . 74.13 110.89 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' DBB . . . . . 1.656 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 1.651 ' SG ' ' HB2' ' A' ' 18' ' ' ALA . 8.6 t -67.58 86.6 0.2 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 118.523 0.601 . . . . 64.4 110.885 -177.447 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -174.11 -35.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 73.11 111.118 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 1.625 ' HB1' ' SG ' ' A' ' 2' ' ' CYS . . . -162.6 -65.92 0.05 OUTLIER 'General case' 0 CA--C 1.593 2.609 0 N-CA-C 107.57 -1.271 . . . . 65.4 107.57 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 28.4 t -52.92 -46.46 68.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 55.21 110.804 -178.748 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 1.656 ' SG ' ' HB3' ' A' ' 11' ' ' DBB . 5.0 m -115.23 162.73 16.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.151 -0.477 . . . . 64.35 110.877 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.452 ' O ' ' HB3' ' A' ' 18' ' ' ALA . . . -98.15 -8.03 28.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 43.45 111.104 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 1.651 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . . . 74.82 -67.44 0.25 Allowed 'General case' 0 CA--C 1.593 2.629 0 N-CA-C 107.568 -1.271 . . . . 74.3 107.568 179.761 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 74.21 110.865 -178.79 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.827 0.346 . . . . 71.34 111.118 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 1.676 ' SG ' ' HB1' ' A' ' 14' ' ' ALA . 3.0 t -121.18 133.93 55.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 62.43 110.852 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -66.29 -15.79 63.89 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.718 -0.753 . . . . 72.13 112.498 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' DBB . . . . . 1.718 ' HB3' ' SG ' ' A' ' 8' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -92.71 -147.19 20.93 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.763 -0.732 . . . . 43.04 112.485 -177.422 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -78.13 132.49 37.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.832 0.348 . . . . 64.22 110.886 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 76.23 5.59 81.63 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.754 -0.736 . . . . 72.5 112.524 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 1.718 ' SG ' ' HB3' ' A' ' 4' ' ' DBB . 0.5 OUTLIER -52.03 166.87 0.14 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.849 0.357 . . . . 75.44 110.895 -179.907 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -103.64 144.62 31.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 72.32 111.089 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.0 ptpp? -104.44 158.37 16.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.392 0.615 . . . . 64.23 110.953 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' DBB . . . . . 1.657 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 1.487 ' SG ' ' HB1' ' A' ' 18' ' ' ALA . 42.5 t -66.87 84.86 0.12 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 118.537 0.608 . . . . 72.22 110.885 -177.436 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -172.13 -36.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.477 . . . . 74.22 111.065 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 1.676 ' HB1' ' SG ' ' A' ' 2' ' ' CYS . . . -166.55 -70.4 0.03 OUTLIER 'General case' 0 CA--C 1.594 2.646 0 N-CA-C 107.56 -1.274 . . . . 70.05 107.56 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.5 t -44.18 -41.35 5.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 73.43 110.864 -178.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 1.657 ' SG ' ' HB3' ' A' ' 11' ' ' DBB . 25.0 m -116.63 136.53 52.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 61.44 110.843 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.458 ' O ' ' HB3' ' A' ' 18' ' ' ALA . . . -52.79 -25.4 11.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 61.34 111.104 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 1.487 ' HB1' ' SG ' ' A' ' 12' ' ' CYS . . . 75.96 -61.69 0.45 Allowed 'General case' 0 CA--C 1.593 2.63 0 N-CA-C 107.586 -1.264 . . . . 63.51 107.586 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 43.2 t . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.49 . . . . 73.11 110.859 -178.816 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.841 0.353 . . . . 72.13 111.077 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 1.642 ' SG ' ' HB1' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -117.22 135.5 53.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 74.34 110.861 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -72.05 -14.01 76.15 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.739 -0.744 . . . . 21.2 112.457 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' DBB . . . . . 1.693 ' HB3' ' SG ' ' A' ' 8' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -94.42 -142.28 12.28 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.73 -0.748 . . . . 25.33 112.434 -177.429 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -76.43 141.17 41.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.827 0.346 . . . . 72.13 110.889 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.32 16.87 55.22 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.747 -0.74 . . . . 55.12 112.508 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 1.693 ' SG ' ' HB3' ' A' ' 4' ' ' DBB . 1.8 t -66.98 153.22 44.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.854 0.359 . . . . 71.33 110.891 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -93.72 141.34 28.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 74.34 111.062 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.6 ptmt -104.25 157.42 17.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.401 0.619 . . . . 73.24 110.89 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' DBB . . . . . 1.682 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 1.464 ' SG ' ' HB1' ' A' ' 18' ' ' ALA . 42.2 t -66.96 84.35 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 118.561 0.619 . . . . 71.12 110.889 -177.432 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -171.13 -36.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 54.32 111.107 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 1.642 ' HB1' ' SG ' ' A' ' 2' ' ' CYS . . . -166.15 -69.46 0.03 OUTLIER 'General case' 0 CA--C 1.594 2.65 0 N-CA-C 107.566 -1.272 . . . . 70.12 107.566 179.788 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.7 t -45.12 -42.38 8.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 54.43 110.847 -178.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 1.682 ' SG ' ' HB3' ' A' ' 11' ' ' DBB . 24.3 m -115.11 136.79 52.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 62.32 110.897 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.457 ' O ' ' HB3' ' A' ' 18' ' ' ALA . . . -53.82 -23.9 13.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 55.43 111.13 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 1.464 ' HB1' ' SG ' ' A' ' 12' ' ' CYS . . . 75.93 -61.57 0.46 Allowed 'General case' 0 CA--C 1.594 2.638 0 N-CA-C 107.537 -1.283 . . . . 61.43 107.537 179.75 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 21.5 t . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 74.14 110.867 -178.796 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.798 0.332 . . . . 63.15 111.123 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 1.384 ' SG ' ' CB ' ' A' ' 14' ' ' ALA . 0.1 OUTLIER -79.75 -20.79 45.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.297 -0.411 . . . . 74.13 110.896 -179.929 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 100.35 -52.89 0.95 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.747 -0.74 . . . . 44.3 112.45 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' DBB . . . . . 1.702 ' HB3' ' SG ' ' A' ' 8' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -164.41 -36.82 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.756 -0.735 . . . . 65.12 112.521 -177.422 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -159.9 95.55 1.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.822 0.344 . . . . 75.14 110.846 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.25 45.49 3.79 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.79 -0.719 . . . . 62.53 112.491 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 1.702 ' SG ' ' HB3' ' A' ' 4' ' ' DBB . 5.4 p -119.81 166.65 12.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.834 0.35 . . . . 34.44 110.878 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -98.7 -174.69 2.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 73.25 111.089 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 18.9 mttm -137.19 159.48 41.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.421 0.629 . . . . 71.0 110.919 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' DBB . . . . . 1.68 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 1.571 ' SG ' ' HB2' ' A' ' 18' ' ' ALA . 15.4 t -74.0 83.1 1.74 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 118.503 0.592 . . . . 71.53 110.868 -177.381 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -173.89 -35.06 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 52.45 111.111 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 1.384 ' CB ' ' SG ' ' A' ' 2' ' ' CYS . . . -150.3 -71.4 0.18 Allowed 'General case' 0 CA--C 1.593 2.633 0 N-CA-C 107.576 -1.268 . . . . 61.11 107.576 179.772 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 41.9 t -55.98 -71.66 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 64.43 110.838 -178.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 1.68 ' SG ' ' HB3' ' A' ' 11' ' ' DBB . 3.8 m -82.86 155.88 23.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 73.23 110.882 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.444 ' O ' ' HB3' ' A' ' 18' ' ' ALA . . . -95.84 -8.4 34.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 63.43 111.067 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 1.571 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . . . 74.69 -66.21 0.31 Allowed 'General case' 0 CA--C 1.594 2.654 0 N-CA-C 107.53 -1.285 . . . . 75.21 107.53 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 71.24 110.822 -178.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.828 0.347 . . . . 64.3 111.122 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 1.673 ' SG ' ' HB1' ' A' ' 14' ' ' ALA . 20.7 t -81.12 -26.65 35.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 65.24 110.836 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 92.82 -26.1 16.11 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.758 -0.734 . . . . 74.04 112.537 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' DBB . . . . . 1.728 ' HB3' ' SG ' ' A' ' 8' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -98.34 -140.08 11.19 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.741 -0.742 . . . . 71.43 112.502 -177.486 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -78.52 138.35 38.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.801 0.334 . . . . 62.32 110.893 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.63 11.82 66.12 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.729 -0.748 . . . . 64.13 112.519 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 1.728 ' SG ' ' HB3' ' A' ' 4' ' ' DBB . 0.5 OUTLIER -66.84 162.51 21.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.837 0.351 . . . . 73.52 110.869 -179.912 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -105.93 177.03 4.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 53.41 111.089 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 50.6 pttt -129.84 153.65 48.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.437 0.637 . . . . 73.3 110.927 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' DBB . . . . . 1.678 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 1.491 ' SG ' ' HB1' ' A' ' 18' ' ' ALA . 42.4 t -65.06 86.5 0.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 118.528 0.604 . . . . 73.25 110.911 -177.419 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -174.33 -36.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 75.25 111.085 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 1.673 ' HB1' ' SG ' ' A' ' 2' ' ' CYS . . . -165.92 -71.55 0.03 OUTLIER 'General case' 0 CA--C 1.593 2.607 0 N-CA-C 107.536 -1.283 . . . . 64.43 107.536 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 26.7 t -44.2 -42.07 6.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 52.51 110.901 -178.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 1.678 ' SG ' ' HB3' ' A' ' 11' ' ' DBB . 27.3 m -115.18 134.6 55.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 74.51 110.876 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.463 ' O ' ' HB3' ' A' ' 18' ' ' ALA . . . -51.41 -26.92 8.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 64.33 111.108 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 1.491 ' HB1' ' SG ' ' A' ' 12' ' ' CYS . . . 76.25 -61.63 0.45 Allowed 'General case' 0 CA--C 1.594 2.64 0 N-CA-C 107.522 -1.288 . . . . 71.22 107.522 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 28.4 m . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 73.12 110.897 -178.792 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.848 0.356 . . . . 54.21 111.116 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 1.398 ' SG ' ' CB ' ' A' ' 14' ' ' ALA . 1.8 m -104.09 126.21 51.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 51.02 110.866 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -55.9 -27.46 50.6 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.757 -0.735 . . . . 72.44 112.509 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' DBB . . . . . 1.701 ' HB3' ' SG ' ' A' ' 8' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -163.11 -37.11 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.794 -0.717 . . . . 64.31 112.498 -177.461 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -163.09 85.31 0.52 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.827 0.346 . . . . 71.14 110.886 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.91 42.16 1.04 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.708 -0.758 . . . . 61.44 112.507 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 1.701 ' SG ' ' HB3' ' A' ' 4' ' ' DBB . 2.1 p -123.5 163.71 20.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.861 0.362 . . . . 61.11 110.862 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -97.85 -168.99 1.75 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 62.4 111.158 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 20.2 pttp -137.85 164.47 28.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.421 0.629 . . . . 63.43 110.877 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' DBB . . . . . 1.714 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 1.448 ' SG ' ' HB1' ' A' ' 18' ' ' ALA . 53.9 t -70.15 83.99 0.53 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 118.532 0.605 . . . . 62.24 110.913 -177.453 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -174.36 -35.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 74.24 111.113 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 1.398 ' CB ' ' SG ' ' A' ' 2' ' ' CYS . . . -152.75 -77.65 0.12 Allowed 'General case' 0 CA--C 1.593 2.631 0 N-CA-C 107.531 -1.285 . . . . 53.4 107.531 179.768 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 45.4 t -46.91 -75.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 72.11 110.864 -178.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 1.714 ' SG ' ' HB3' ' A' ' 11' ' ' DBB . 21.8 m -71.63 130.55 41.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.085 -0.507 . . . . 74.2 110.922 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.46 ' O ' ' HB3' ' A' ' 18' ' ' ALA . . . -53.43 -24.06 11.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 63.32 111.105 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 1.448 ' HB1' ' SG ' ' A' ' 12' ' ' CYS . . . 76.05 -62.21 0.44 Allowed 'General case' 0 CA--C 1.594 2.654 0 N-CA-C 107.55 -1.278 . . . . 61.24 107.55 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 83.1 p . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 61.31 110.871 -178.795 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.799 0.333 . . . . 70.31 111.075 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 1.642 ' SG ' ' HB1' ' A' ' 14' ' ' ALA . 4.7 t -163.98 125.27 2.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 75.04 110.869 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -59.64 -17.36 41.12 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.75 -0.738 . . . . 50.31 112.463 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' DBB . . . . . 1.637 ' HB3' ' SG ' ' A' ' 8' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -80.82 -178.98 52.72 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.772 -0.728 . . . . 25.0 112.498 -177.425 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -65.37 -14.81 61.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.932 0.396 . . . . 64.22 110.912 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.58 15.09 12.92 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.738 -0.744 . . . . 43.5 112.471 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 1.637 ' SG ' ' HB3' ' A' ' 4' ' ' DBB . 0.1 OUTLIER -53.16 156.8 2.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.839 0.352 . . . . 52.45 110.897 -179.913 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -99.29 172.94 7.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 72.15 111.092 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.4 mmtm -118.96 157.58 27.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.417 0.627 . . . . 71.21 110.914 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' DBB . . . . . 1.718 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 1.467 ' SG ' ' HB1' ' A' ' 18' ' ' ALA . 42.0 t -66.53 85.21 0.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 118.534 0.606 . . . . 73.33 110.819 -177.41 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -172.0 -36.52 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 70.24 111.135 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 1.642 ' HB1' ' SG ' ' A' ' 2' ' ' CYS . . . -166.73 -69.33 0.03 OUTLIER 'General case' 0 CA--C 1.593 2.622 0 N-CA-C 107.563 -1.273 . . . . 74.03 107.563 179.786 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 23.8 t -45.27 -42.53 9.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 73.15 110.836 -178.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 1.718 ' SG ' ' HB3' ' A' ' 11' ' ' DBB . 25.1 m -115.0 137.97 51.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.474 . . . . 73.32 110.901 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.452 ' O ' ' HB3' ' A' ' 18' ' ' ALA . . . -54.93 -23.16 17.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 65.32 111.076 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 1.467 ' HB1' ' SG ' ' A' ' 12' ' ' CYS . . . 75.87 -61.87 0.45 Allowed 'General case' 0 CA--C 1.594 2.668 0 N-CA-C 107.551 -1.277 . . . . 74.32 107.551 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 68.1 m . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 52.01 110.853 -178.778 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.822 0.344 . . . . 43.14 111.085 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 1.635 ' SG ' ' HB1' ' A' ' 14' ' ' ALA . 40.6 t -121.23 126.77 50.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 65.44 110.899 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 4' ' ' DBB . . . -54.22 -39.69 65.12 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.73 -0.748 . . . . 53.13 112.469 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' DBB . . . . . 1.71 ' HB3' ' SG ' ' A' ' 8' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -163.1 -45.36 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.727 -0.749 . . . . 44.54 112.477 -177.419 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -153.39 93.13 1.67 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.837 0.351 . . . . 73.41 110.889 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.41 44.19 3.03 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.736 -0.745 . . . . 72.51 112.47 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 1.71 ' SG ' ' HB3' ' A' ' 4' ' ' DBB . 6.7 p -117.46 159.13 23.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.862 0.363 . . . . 62.41 110.85 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -79.6 159.79 26.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 54.11 111.109 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -111.35 152.17 27.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.413 0.625 . . . . 75.24 110.88 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' DBB . . . . . 1.691 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 1.638 ' SG ' ' HB2' ' A' ' 18' ' ' ALA . 8.2 t -65.06 90.2 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 118.523 0.601 . . . . 75.04 110.894 -177.459 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -179.7 -34.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 75.12 111.094 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 1.635 ' HB1' ' SG ' ' A' ' 2' ' ' CYS . . . -164.42 -69.77 0.04 OUTLIER 'General case' 0 CA--C 1.593 2.614 0 N-CA-C 107.582 -1.266 . . . . 74.0 107.582 179.795 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 35.4 t -50.04 -39.82 43.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.457 . . . . 71.01 110.828 -178.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 1.691 ' SG ' ' HB3' ' A' ' 11' ' ' DBB . 5.1 m -122.95 164.12 19.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 72.3 110.865 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.456 ' O ' ' HB3' ' A' ' 18' ' ' ALA . . . -99.75 -7.97 24.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 72.1 111.089 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 1.638 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . . . 75.01 -67.4 0.25 Allowed 'General case' 0 CA--C 1.593 2.628 0 N-CA-C 107.574 -1.269 . . . . 61.0 107.574 179.813 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 84.1 p . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 74.44 110.863 -178.812 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.822 0.344 . . . . 61.44 111.122 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 1.385 ' SG ' ' CB ' ' A' ' 14' ' ' ALA . 0.5 OUTLIER -80.54 -26.99 37.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 61.23 110.847 -179.914 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 107.09 -43.27 1.72 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.732 -0.747 . . . . 34.23 112.481 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' DBB . . . . . 1.687 ' HB3' ' SG ' ' A' ' 8' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -173.02 81.79 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.738 -0.744 . . . . 64.02 112.474 -177.453 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 61.55 66.48 0.85 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.839 0.352 . . . . 53.24 110.844 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.46 38.58 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.782 -0.723 . . . . 71.15 112.507 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 1.687 ' SG ' ' HB3' ' A' ' 4' ' ' DBB . 1.8 p -133.75 138.75 45.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.814 0.34 . . . . 74.34 110.881 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.58 -176.95 0.51 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 54.15 111.073 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 29.2 pttt -128.95 158.65 38.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.379 0.609 . . . . 73.14 110.916 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' DBB . . . . . 1.671 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 1.562 ' SG ' ' HB2' ' A' ' 18' ' ' ALA . 16.1 t -74.01 87.01 1.83 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 118.542 0.61 . . . . 62.12 110.884 -177.433 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -179.94 -33.92 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 51.35 111.103 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 1.385 ' CB ' ' SG ' ' A' ' 2' ' ' CYS . . . -149.39 -74.89 0.17 Allowed 'General case' 0 CA--C 1.593 2.631 0 N-CA-C 107.571 -1.27 . . . . 60.01 107.571 179.78 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 69.5 m -54.64 -71.48 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 72.55 110.868 -178.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 1.671 ' SG ' ' HB3' ' A' ' 11' ' ' DBB . 3.7 m -83.2 154.47 24.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.079 -0.509 . . . . 43.12 110.892 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.446 ' O ' ' HB3' ' A' ' 18' ' ' ALA . . . -95.02 -8.29 37.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 30.2 111.113 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 1.562 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . . . 74.93 -66.1 0.31 Allowed 'General case' 0 CA--C 1.594 2.643 0 N-CA-C 107.526 -1.287 . . . . 73.04 107.526 179.728 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 27.3 p . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 73.34 110.874 -178.821 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.872 0.367 . . . . 74.43 111.124 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 1.43 ' SG ' ' HB2' ' A' ' 14' ' ' ALA . 0.1 OUTLIER -117.73 -50.07 2.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.264 -0.425 . . . . 71.55 110.916 -179.925 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 95.36 -29.69 9.24 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.752 -0.737 . . . . 42.41 112.464 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' DBB . . . . . 1.757 ' HB3' ' SG ' ' A' ' 8' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -95.83 -141.17 11.6 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.764 -0.731 . . . . 62.51 112.519 -177.484 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -77.59 138.36 39.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.878 0.37 . . . . 73.54 110.855 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 59.48 27.44 63.45 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.688 -0.767 . . . . 73.45 112.475 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 1.757 ' SG ' ' HB3' ' A' ' 4' ' ' DBB . 1.1 t -67.67 165.12 17.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.828 0.347 . . . . 74.42 110.901 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -92.26 -174.46 3.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 72.33 111.121 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.8 mtmm -133.87 160.29 38.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.393 0.616 . . . . 63.42 110.931 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' DBB . . . . . 1.777 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 1.395 ' SG ' ' CB ' ' A' ' 18' ' ' ALA . 33.0 t -61.59 -16.77 51.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 118.525 0.602 . . . . 64.13 110.874 -177.393 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.61 -33.52 75.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 72.24 111.102 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 1.43 ' HB2' ' SG ' ' A' ' 2' ' ' CYS . . . 178.29 164.63 0.74 Allowed 'General case' 0 CA--C 1.593 2.618 0 N-CA-C 107.602 -1.259 . . . . 55.45 107.602 179.774 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.4 ' CB ' ' O ' ' A' ' 14' ' ' ALA . 0.2 OUTLIER 76.75 -53.98 0.58 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 42.33 110.841 -178.775 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 1.777 ' SG ' ' HB3' ' A' ' 11' ' ' DBB . 20.3 m -90.96 160.25 15.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 74.21 110.874 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.443 ' O ' ' HB3' ' A' ' 18' ' ' ALA . . . -80.36 -10.1 59.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 73.15 111.134 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 1.395 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . . . 74.37 -66.87 0.28 Allowed 'General case' 0 CA--C 1.593 2.612 0 N-CA-C 107.59 -1.263 . . . . 53.45 107.59 179.804 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.2 p . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 75.32 110.883 -178.761 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.861 0.362 . . . . 74.04 111.142 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 1.63 ' SG ' ' HB1' ' A' ' 14' ' ' ALA . 10.3 t -125.07 142.1 51.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 62.42 110.869 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -59.45 -19.02 46.02 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.744 -0.741 . . . . 75.21 112.451 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' DBB . . . . . 1.651 ' HB3' ' SG ' ' A' ' 8' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 169.9 147.29 5.44 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.74 -0.743 . . . . 43.11 112.485 -177.49 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.6 t0 50.95 50.68 18.6 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.785 0.326 . . . . 74.5 110.858 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.33 -6.99 3.68 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.724 -0.751 . . . . 50.04 112.472 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 1.651 ' SG ' ' HB3' ' A' ' 4' ' ' DBB . 35.3 t -87.86 138.22 31.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.788 0.328 . . . . 73.1 110.913 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -118.15 167.71 11.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 75.32 111.15 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 20.6 mmtt -96.6 150.97 20.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.397 0.618 . . . . 73.41 110.901 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' DBB . . . . . 1.701 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 1.606 ' SG ' ' HB2' ' A' ' 18' ' ' ALA . 9.1 t -66.19 89.76 0.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 118.531 0.605 . . . . 70.31 110.856 -177.421 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -178.89 -34.68 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 73.41 111.115 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 1.63 ' HB1' ' SG ' ' A' ' 2' ' ' CYS . . . -162.38 -67.65 0.05 Allowed 'General case' 0 CA--C 1.594 2.666 0 N-CA-C 107.561 -1.274 . . . . 63.45 107.561 179.793 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 62.8 m -52.8 -44.31 66.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 51.15 110.874 -178.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 1.701 ' SG ' ' HB3' ' A' ' 11' ' ' DBB . 4.4 m -118.61 157.43 27.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 72.22 110.877 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.447 ' O ' ' HB3' ' A' ' 18' ' ' ALA . . . -93.61 -7.98 42.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 65.14 111.128 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 1.606 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . . . 74.91 -67.15 0.26 Allowed 'General case' 0 CA--C 1.593 2.624 0 N-CA-C 107.542 -1.281 . . . . 55.23 107.542 179.789 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 30.9 t . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 71.14 110.829 -178.787 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.828 0.347 . . . . 71.32 111.088 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 1.64 ' SG ' ' HB1' ' A' ' 14' ' ' ALA . 12.2 t -155.45 134.88 12.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 63.43 110.9 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -62.5 -15.36 52.74 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.745 -0.741 . . . . 53.15 112.483 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' DBB . . . . . 1.672 ' HB3' ' SG ' ' A' ' 8' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -75.86 -165.79 19.21 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.766 -0.731 . . . . 44.23 112.479 -177.437 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -53.37 -76.04 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.787 0.327 . . . . 72.24 110.88 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.94 51.32 4.54 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.706 -0.759 . . . . 72.03 112.494 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 1.672 ' SG ' ' HB3' ' A' ' 4' ' ' DBB . 1.7 t -69.32 147.57 50.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.797 0.332 . . . . 74.12 110.882 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.46 105.82 3.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 63.14 111.109 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.82 156.5 38.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.394 0.616 . . . . 73.25 110.922 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' DBB . . . . . 1.638 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 1.4 ' SG ' ' HB1' ' A' ' 18' ' ' ALA . 48.6 t -65.2 86.64 0.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 118.481 0.582 . . . . 62.13 110.887 -177.464 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -174.22 -36.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 75.01 111.058 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 1.64 ' HB1' ' SG ' ' A' ' 2' ' ' CYS . . . -165.86 -70.61 0.03 OUTLIER 'General case' 0 CA--C 1.594 2.641 0 N-CA-C 107.554 -1.276 . . . . 55.13 107.554 179.742 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 46.1 m -44.99 -42.53 8.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 73.34 110.877 -178.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 1.638 ' SG ' ' HB3' ' A' ' 11' ' ' DBB . 27.2 m -114.88 138.48 50.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.088 -0.505 . . . . 64.03 110.872 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.47 ' O ' ' HB3' ' A' ' 18' ' ' ALA . . . -57.0 -21.05 27.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 72.44 111.133 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 1.4 ' HB1' ' SG ' ' A' ' 12' ' ' CYS . . . 76.17 -62.61 0.42 Allowed 'General case' 0 CA--C 1.594 2.659 0 N-CA-C 107.539 -1.282 . . . . 52.15 107.539 179.773 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.7 m . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 62.41 110.878 -178.821 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.823 0.344 . . . . 64.52 111.115 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 1.711 ' SG ' ' HB1' ' A' ' 14' ' ' ALA . 14.2 t -132.89 -41.99 0.91 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 71.41 110.846 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 87.85 -12.75 62.84 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.764 -0.731 . . . . 71.35 112.492 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' DBB . . . . . 1.766 ' HB3' ' SG ' ' A' ' 8' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -102.92 -142.24 12.05 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.747 -0.74 . . . . 70.23 112.514 -177.463 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -72.95 140.18 47.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.864 0.364 . . . . 71.51 110.85 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 51.87 27.24 20.32 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.731 -0.747 . . . . 61.25 112.517 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 1.766 ' SG ' ' HB3' ' A' ' 4' ' ' DBB . 2.0 t -62.5 145.13 55.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.868 0.366 . . . . 75.43 110.827 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.672 ' HB3' ' HB3' ' A' ' 14' ' ' ALA . . . -67.8 153.7 43.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.108 -0.496 . . . . 71.33 111.091 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 26.9 mmtt -109.14 131.64 54.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.415 0.626 . . . . 72.4 110.94 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' DBB . . . . . 1.728 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 1.383 ' SG ' ' CB ' ' A' ' 18' ' ' ALA . 25.8 t -58.97 -18.91 38.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 118.511 0.596 . . . . 64.32 110.851 -177.406 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.574 ' CB ' ' HB1' ' A' ' 9' ' ' ALA . . . -64.59 -34.05 77.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 42.54 111.071 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 1.711 ' HB1' ' SG ' ' A' ' 2' ' ' CYS . . . 177.03 165.16 0.52 Allowed 'General case' 0 CA--C 1.594 2.659 0 N-CA-C 107.498 -1.297 . . . . 65.31 107.498 179.794 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.413 ' CB ' ' O ' ' A' ' 14' ' ' ALA . 0.4 OUTLIER 77.02 -54.45 0.56 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.116 -0.493 . . . . 61.42 110.841 -178.837 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 1.728 ' SG ' ' HB3' ' A' ' 11' ' ' DBB . 34.8 m -88.04 169.19 12.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.162 -0.472 . . . . 74.3 110.92 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.429 ' O ' ' HB3' ' A' ' 18' ' ' ALA . . . -88.5 -11.88 44.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 62.43 111.086 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 1.383 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . . . 73.98 -67.51 0.26 Allowed 'General case' 0 CA--C 1.593 2.605 0 N-CA-C 107.567 -1.272 . . . . 54.24 107.567 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 99.2 p . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 73.31 110.867 -178.802 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.794 0.33 . . . . 73.22 111.117 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 1.625 ' SG ' ' HB1' ' A' ' 14' ' ' ALA . 9.6 t -72.26 -45.65 59.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 74.53 110.877 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 86.26 -10.77 65.16 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.764 -0.731 . . . . 74.12 112.458 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' DBB . . . . . 1.652 ' HB3' ' SG ' ' A' ' 8' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -95.38 -145.6 19.17 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.744 -0.741 . . . . 52.44 112.493 -177.451 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -73.72 138.19 44.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.838 0.351 . . . . 74.52 110.888 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 56.94 22.42 41.73 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.747 -0.74 . . . . 72.34 112.525 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 1.652 ' SG ' ' HB3' ' A' ' 4' ' ' DBB . 2.7 t -55.51 135.65 50.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.783 0.325 . . . . 62.21 110.876 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.506 ' HB1' ' CB ' ' A' ' 13' ' ' ALA . . . -63.09 167.14 5.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 51.34 111.091 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.8 mmtt -120.36 149.08 42.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.369 0.604 . . . . 75.51 110.931 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' DBB . . . . . 1.788 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 1.403 ' SG ' ' CB ' ' A' ' 18' ' ' ALA . 22.5 t -58.78 -19.33 39.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 118.527 0.603 . . . . 53.4 110.878 -177.445 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.506 ' CB ' ' HB1' ' A' ' 9' ' ' ALA . . . -63.83 -34.32 77.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 54.25 111.124 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 1.625 ' HB1' ' SG ' ' A' ' 2' ' ' CYS . . . 175.73 165.7 0.36 Allowed 'General case' 0 CA--C 1.594 2.641 0 N-CA-C 107.572 -1.27 . . . . 63.22 107.572 179.794 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.407 ' CB ' ' O ' ' A' ' 14' ' ' ALA . 0.3 OUTLIER 77.32 -50.58 0.54 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 44.11 110.849 -178.793 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 1.788 ' SG ' ' HB3' ' A' ' 11' ' ' DBB . 34.8 m -92.77 170.65 9.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 72.14 110.889 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.435 ' O ' ' HB3' ' A' ' 18' ' ' ALA . . . -89.49 -10.93 44.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 63.11 111.154 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 1.403 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . . . 73.8 -67.94 0.24 Allowed 'General case' 0 CA--C 1.593 2.634 0 N-CA-C 107.533 -1.284 . . . . 64.12 107.533 179.788 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.1 m . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 65.14 110.876 -178.785 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.854 0.359 . . . . 71.14 111.105 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 1.381 ' SG ' ' CB ' ' A' ' 14' ' ' ALA . 0.1 OUTLIER -70.52 135.52 48.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 71.33 110.878 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -70.19 -8.96 62.91 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.758 -0.734 . . . . 71.55 112.502 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' DBB . . . . . 1.638 ' HB3' ' SG ' ' A' ' 8' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -160.29 -117.04 0.44 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.76 -0.734 . . . . 52.45 112.521 -177.389 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -66.01 89.43 0.12 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.83 0.347 . . . . 73.43 110.844 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 121.69 -14.47 9.19 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.745 -0.74 . . . . 51.24 112.473 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 1.638 ' SG ' ' HB3' ' A' ' 4' ' ' DBB . 33.9 t -73.79 141.41 46.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.841 0.353 . . . . 74.32 110.856 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -105.97 -170.75 1.78 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 74.34 111.119 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.94 156.77 39.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.398 0.618 . . . . 62.22 110.941 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' DBB . . . . . 1.765 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 1.604 ' SG ' ' HB2' ' A' ' 18' ' ' ALA . 13.4 t -73.0 87.48 1.34 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 118.52 0.6 . . . . 73.23 110.913 -177.463 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -178.94 -34.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 65.13 111.092 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 1.381 ' CB ' ' SG ' ' A' ' 2' ' ' CYS . . . -152.01 -71.32 0.16 Allowed 'General case' 0 CA--C 1.594 2.651 0 N-CA-C 107.535 -1.283 . . . . 54.34 107.535 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 30.3 t -55.52 -69.42 0.14 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 75.03 110.881 -178.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 1.765 ' SG ' ' HB3' ' A' ' 11' ' ' DBB . 4.0 m -86.56 157.03 19.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 73.54 110.89 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.453 ' O ' ' HB3' ' A' ' 18' ' ' ALA . . . -95.99 -8.92 32.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 75.24 111.11 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 1.604 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . . . 74.83 -66.2 0.31 Allowed 'General case' 0 CA--C 1.593 2.624 0 N-CA-C 107.624 -1.251 . . . . 73.23 107.624 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.6 p . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.098 -0.501 . . . . 74.42 110.827 -178.786 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.846 0.355 . . . . 73.44 111.08 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 1.622 ' SG ' ' HB2' ' A' ' 14' ' ' ALA . 7.5 m -73.68 -29.29 62.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 73.03 110.857 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 98.28 -39.0 2.88 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.752 -0.737 . . . . 61.44 112.486 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' DBB . . . . . 1.674 ' HB3' ' SG ' ' A' ' 8' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -168.07 -36.09 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.744 -0.741 . . . . 51.24 112.519 -177.456 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -156.84 100.95 1.93 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.833 0.349 . . . . 74.21 110.871 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.42 46.84 7.78 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.747 -0.74 . . . . 60.11 112.506 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 1.674 ' SG ' ' HB3' ' A' ' 4' ' ' DBB . 7.9 p -114.49 161.82 17.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.827 0.346 . . . . 73.15 110.861 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.485 ' O ' ' HB3' ' A' ' 14' ' ' ALA . . . -92.61 163.77 13.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 63.43 111.049 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.94 162.84 16.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.408 0.623 . . . . 73.52 110.909 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' DBB . . . . . 1.719 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 1.466 ' SG ' ' HB1' ' A' ' 18' ' ' ALA . 35.2 t -64.23 -13.18 47.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 118.506 0.594 . . . . 71.03 110.904 -177.448 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -74.13 -29.14 61.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 31.43 111.104 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 1.622 ' HB2' ' SG ' ' A' ' 2' ' ' CYS . . . 176.89 162.84 0.45 Allowed 'General case' 0 CA--C 1.594 2.635 0 N-CA-C 107.599 -1.26 . . . . 52.24 107.599 179.77 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.42 ' CB ' ' O ' ' A' ' 14' ' ' ALA . 1.2 t 77.42 -58.84 0.48 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 72.32 110.861 -178.775 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 1.719 ' SG ' ' HB3' ' A' ' 11' ' ' DBB . 23.1 m -85.95 156.09 20.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 65.22 110.839 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.458 ' O ' ' HB3' ' A' ' 18' ' ' ALA . . . -72.84 -19.54 61.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 72.03 111.076 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 1.466 ' HB1' ' SG ' ' A' ' 12' ' ' CYS . . . 75.31 -61.8 0.47 Allowed 'General case' 0 CA--C 1.595 2.674 0 N-CA-C 107.551 -1.277 . . . . 63.21 107.551 179.79 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.6 p . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 62.51 110.86 -178.808 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.883 0.373 . . . . 72.44 111.071 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 1.598 ' SG ' ' HB1' ' A' ' 14' ' ' ALA . 8.3 t 67.67 9.64 7.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 45.04 110.897 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 77.06 -50.17 3.01 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.737 -0.744 . . . . 34.43 112.506 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' DBB . . . . . 1.658 ' HB3' ' SG ' ' A' ' 8' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -120.37 -112.24 2.32 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.763 -0.732 . . . . 62.03 112.52 -177.458 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -90.23 137.46 32.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.855 0.36 . . . . 72.34 110.876 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 55.45 46.53 80.38 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.696 -0.764 . . . . 74.12 112.538 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 1.658 ' SG ' ' HB3' ' A' ' 4' ' ' DBB . 0.0 OUTLIER -95.71 162.55 13.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.787 0.327 . . . . 52.04 110.913 -179.892 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -101.03 -169.03 1.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 72.11 111.139 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.5 ptpp? -148.23 163.13 37.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.439 0.638 . . . . 65.14 110.876 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' DBB . . . . . 1.642 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 1.383 ' SG ' ' CB ' ' A' ' 18' ' ' ALA . 46.2 t -71.83 74.38 0.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 118.529 0.604 . . . . 44.41 110.88 -177.462 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -158.29 -38.07 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 74.43 111.122 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 1.598 ' HB1' ' SG ' ' A' ' 2' ' ' CYS . . . -164.8 -67.19 0.04 OUTLIER 'General case' 0 CA--C 1.593 2.622 0 N-CA-C 107.617 -1.253 . . . . 65.32 107.617 179.79 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 60.2 m -45.71 -48.39 15.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 63.02 110.875 -178.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 1.642 ' SG ' ' HB3' ' A' ' 11' ' ' DBB . 21.7 m -107.7 141.95 38.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.102 -0.499 . . . . 72.11 110.863 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.459 ' O ' ' HB3' ' A' ' 18' ' ' ALA . . . -61.2 -17.49 53.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 44.44 111.052 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 1.383 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . . . 76.01 -63.39 0.4 Allowed 'General case' 0 CA--C 1.594 2.639 0 N-CA-C 107.593 -1.262 . . . . 71.5 107.593 179.775 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.0 t . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 73.44 110.877 -178.865 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.487 -0.245 . . . . 72.25 112.487 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -76.51 131.13 38.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.829 0.347 . . . . 72.41 110.889 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.64 12.02 82.78 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.743 -0.741 . . . . 65.02 112.498 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -53.73 171.07 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.834 0.349 . . . . 55.42 110.904 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -98.09 142.55 29.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 72.24 111.131 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.9 ptmt . . . . . 0 C--N 1.328 -0.35 0 CA-C-O 121.346 0.593 . . . . 72.31 110.948 179.967 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 1.662 ' SG ' ' HB2' ' A' ' 18' ' ' ALA . 8.9 t . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.854 0.359 . . . . 74.14 110.894 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -178.33 -34.87 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.176 -0.466 . . . . 71.24 111.084 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -162.81 -68.22 0.05 OUTLIER 'General case' 0 CA--C 1.593 2.628 0 N-CA-C 107.597 -1.26 . . . . 74.03 107.597 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 72.0 m -51.82 -42.95 62.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 75.53 110.864 -178.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.3 m -120.12 158.53 26.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.478 . . . . 64.25 110.923 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.447 ' O ' ' HB3' ' A' ' 18' ' ' ALA . . . -94.62 -7.53 40.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 53.05 111.122 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 1.662 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . . . 74.94 -67.4 0.25 Allowed 'General case' 0 CA--C 1.594 2.641 0 N-CA-C 107.541 -1.281 . . . . 70.13 107.541 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.9 t . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 73.52 110.855 -178.809 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.498 -0.241 . . . . 53.02 112.498 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -77.4 133.34 38.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.843 0.354 . . . . 74.03 110.907 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.12 12.0 75.42 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.734 -0.746 . . . . 75.05 112.449 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -55.4 172.68 0.14 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.79 0.328 . . . . 64.31 110.9 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -96.86 176.45 5.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 72.53 111.052 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 27.2 pttt . . . . . 0 C--N 1.329 -0.312 0 CA-C-O 121.447 0.641 . . . . 63.41 110.892 179.953 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 1.6 ' SG ' ' HB2' ' A' ' 18' ' ' ALA . 14.5 t . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.807 0.337 . . . . 51.54 110.904 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -178.26 -34.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 65.45 111.054 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -152.85 -69.75 0.15 Allowed 'General case' 0 CA--C 1.593 2.623 0 N-CA-C 107.575 -1.268 . . . . 63.2 107.575 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 75.0 m -56.16 -65.8 0.54 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.16 -0.473 . . . . 71.42 110.855 -178.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.8 m -91.87 151.79 20.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.14 -0.482 . . . . 60.13 110.89 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.449 ' O ' ' HB3' ' A' ' 18' ' ' ALA . . . -90.9 -8.33 49.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 71.42 111.095 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 1.6 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . . . 74.88 -66.49 0.29 Allowed 'General case' 0 CA--C 1.593 2.628 0 N-CA-C 107.555 -1.276 . . . . 75.12 107.555 179.762 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.3 p . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 65.1 110.866 -178.815 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.424 ' N ' ' HG ' ' A' ' 8' ' ' CYS . . . . . . . . 0 N--CA 1.451 -0.364 0 N-CA-C 112.515 -0.234 . . . . 65.14 112.515 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -165.19 70.32 0.15 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.855 0.359 . . . . 74.34 110.812 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 134.54 38.68 0.2 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.741 -0.743 . . . . 52.13 112.501 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.424 ' HG ' ' N ' ' A' ' 5' ' ' GLY . 1.8 p -124.71 151.25 45.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.888 0.375 . . . . 72.14 110.847 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -95.75 -177.27 3.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 75.31 111.07 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-O 121.404 0.621 . . . . 71.24 110.872 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 1.592 ' SG ' ' HB2' ' A' ' 18' ' ' ALA . 14.4 t . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.825 0.345 . . . . 34.55 110.904 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -178.67 -34.38 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 70.12 111.17 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -153.28 -69.87 0.15 Allowed 'General case' 0 CA--C 1.593 2.633 0 N-CA-C 107.566 -1.272 . . . . 71.34 107.566 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 33.2 t -56.19 -65.59 0.58 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 71.44 110.856 -178.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.9 m -92.11 152.01 20.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.121 -0.491 . . . . 72.34 110.869 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.451 ' O ' ' HB3' ' A' ' 18' ' ' ALA . . . -91.08 -8.7 48.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 54.13 111.102 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 1.592 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . . . 74.89 -66.3 0.3 Allowed 'General case' 0 CA--C 1.593 2.614 0 N-CA-C 107.586 -1.264 . . . . 74.14 107.586 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 34.2 t . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 73.33 110.826 -178.809 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.513 -0.235 . . . . 64.25 112.513 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.68 -8.72 56.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.862 0.363 . . . . 71.11 110.875 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.64 15.52 8.51 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.779 -0.724 . . . . 33.22 112.486 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -52.69 160.34 0.92 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.84 0.352 . . . . 72.44 110.91 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -94.95 -169.08 1.93 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 50.52 111.103 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.9 pptp? . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 121.399 0.619 . . . . 74.13 110.89 179.984 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 1.651 ' SG ' ' HB2' ' A' ' 18' ' ' ALA . 8.6 t . . . . . 0 CA--C 1.527 0.063 0 CA-C-O 120.84 0.353 . . . . 64.4 110.885 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -174.11 -35.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 73.11 111.118 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -162.6 -65.92 0.05 OUTLIER 'General case' 0 CA--C 1.593 2.609 0 N-CA-C 107.57 -1.271 . . . . 65.4 107.57 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 28.4 t -52.92 -46.46 68.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 55.21 110.804 -178.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 5.0 m -115.23 162.73 16.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.151 -0.477 . . . . 64.35 110.877 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.452 ' O ' ' HB3' ' A' ' 18' ' ' ALA . . . -98.15 -8.03 28.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 43.45 111.104 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 1.651 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . . . 74.82 -67.44 0.25 Allowed 'General case' 0 CA--C 1.593 2.629 0 N-CA-C 107.568 -1.271 . . . . 74.3 107.568 179.761 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 74.21 110.865 -178.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.485 -0.246 . . . . 43.04 112.485 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -78.13 132.49 37.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.832 0.348 . . . . 64.22 110.886 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 76.23 5.59 81.63 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.754 -0.736 . . . . 72.5 112.524 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -52.03 166.87 0.14 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.849 0.357 . . . . 75.44 110.895 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -103.64 144.62 31.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 72.32 111.089 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.0 ptpp? . . . . . 0 C--N 1.328 -0.338 0 CA-C-O 121.392 0.615 . . . . 64.23 110.953 179.959 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 1.487 ' SG ' ' HB1' ' A' ' 18' ' ' ALA . 42.5 t . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.829 0.347 . . . . 72.22 110.885 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -172.13 -36.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.477 . . . . 74.22 111.065 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -166.55 -70.4 0.03 OUTLIER 'General case' 0 CA--C 1.594 2.646 0 N-CA-C 107.56 -1.274 . . . . 70.05 107.56 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.5 t -44.18 -41.35 5.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 73.43 110.864 -178.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 25.0 m -116.63 136.53 52.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 61.44 110.843 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.458 ' O ' ' HB3' ' A' ' 18' ' ' ALA . . . -52.79 -25.4 11.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 61.34 111.104 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 1.487 ' HB1' ' SG ' ' A' ' 12' ' ' CYS . . . 75.96 -61.69 0.45 Allowed 'General case' 0 CA--C 1.593 2.63 0 N-CA-C 107.586 -1.264 . . . . 63.51 107.586 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 43.2 t . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.49 . . . . 73.11 110.859 -178.816 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.434 -0.266 . . . . 25.33 112.434 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -76.43 141.17 41.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.827 0.346 . . . . 72.13 110.889 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.32 16.87 55.22 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.747 -0.74 . . . . 55.12 112.508 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.8 t -66.98 153.22 44.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.854 0.359 . . . . 71.33 110.891 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -93.72 141.34 28.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 74.34 111.062 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.6 ptmt . . . . . 0 C--N 1.329 -0.315 0 CA-C-O 121.401 0.619 . . . . 73.24 110.89 179.98 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 1.464 ' SG ' ' HB1' ' A' ' 18' ' ' ALA . 42.2 t . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.848 0.356 . . . . 71.12 110.889 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -171.13 -36.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 54.32 111.107 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -166.15 -69.46 0.03 OUTLIER 'General case' 0 CA--C 1.594 2.65 0 N-CA-C 107.566 -1.272 . . . . 70.12 107.566 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.7 t -45.12 -42.38 8.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 54.43 110.847 -178.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 24.3 m -115.11 136.79 52.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 62.32 110.897 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.457 ' O ' ' HB3' ' A' ' 18' ' ' ALA . . . -53.82 -23.9 13.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 55.43 111.13 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 1.464 ' HB1' ' SG ' ' A' ' 12' ' ' CYS . . . 75.93 -61.57 0.46 Allowed 'General case' 0 CA--C 1.594 2.638 0 N-CA-C 107.537 -1.283 . . . . 61.43 107.537 179.75 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 21.5 t . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 74.14 110.867 -178.796 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.531 ' N ' ' HG ' ' A' ' 8' ' ' CYS . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.521 -0.232 . . . . 65.12 112.521 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -159.9 95.55 1.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.822 0.344 . . . . 75.14 110.846 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.25 45.49 3.79 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.79 -0.719 . . . . 62.53 112.491 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.531 ' HG ' ' N ' ' A' ' 5' ' ' GLY . 5.4 p -119.81 166.65 12.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.834 0.35 . . . . 34.44 110.878 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -98.7 -174.69 2.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 73.25 111.089 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 18.9 mttm . . . . . 0 C--N 1.328 -0.33 0 CA-C-O 121.421 0.629 . . . . 71.0 110.919 179.917 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 1.571 ' SG ' ' HB2' ' A' ' 18' ' ' ALA . 15.4 t . . . . . 0 N--CA 1.458 -0.062 0 CA-C-O 120.816 0.341 . . . . 71.53 110.868 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -173.89 -35.06 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 52.45 111.111 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -150.3 -71.4 0.18 Allowed 'General case' 0 CA--C 1.593 2.633 0 N-CA-C 107.576 -1.268 . . . . 61.11 107.576 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 41.9 t -55.98 -71.66 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 64.43 110.838 -178.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.8 m -82.86 155.88 23.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 73.23 110.882 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.444 ' O ' ' HB3' ' A' ' 18' ' ' ALA . . . -95.84 -8.4 34.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 63.43 111.067 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 1.571 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . . . 74.69 -66.21 0.31 Allowed 'General case' 0 CA--C 1.594 2.654 0 N-CA-C 107.53 -1.285 . . . . 75.21 107.53 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 71.24 110.822 -178.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.502 -0.239 . . . . 71.43 112.502 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -78.52 138.35 38.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.801 0.334 . . . . 62.32 110.893 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.63 11.82 66.12 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.729 -0.748 . . . . 64.13 112.519 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -66.84 162.51 21.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.837 0.351 . . . . 73.52 110.869 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -105.93 177.03 4.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 53.41 111.089 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 50.6 pttt . . . . . 0 C--N 1.329 -0.326 0 CA-C-O 121.437 0.637 . . . . 73.3 110.927 179.941 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 1.491 ' SG ' ' HB1' ' A' ' 18' ' ' ALA . 42.4 t . . . . . 0 N--CA 1.458 -0.068 0 CA-C-O 120.884 0.373 . . . . 73.25 110.911 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -174.33 -36.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 75.25 111.085 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -165.92 -71.55 0.03 OUTLIER 'General case' 0 CA--C 1.593 2.607 0 N-CA-C 107.536 -1.283 . . . . 64.43 107.536 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 26.7 t -44.2 -42.07 6.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 52.51 110.901 -178.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 27.3 m -115.18 134.6 55.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 74.51 110.876 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.463 ' O ' ' HB3' ' A' ' 18' ' ' ALA . . . -51.41 -26.92 8.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 64.33 111.108 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 1.491 ' HB1' ' SG ' ' A' ' 12' ' ' CYS . . . 76.25 -61.63 0.45 Allowed 'General case' 0 CA--C 1.594 2.64 0 N-CA-C 107.522 -1.288 . . . . 71.22 107.522 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 28.4 m . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 73.12 110.897 -178.792 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.497 ' N ' ' HG ' ' A' ' 8' ' ' CYS . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.498 -0.241 . . . . 64.31 112.498 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -163.09 85.31 0.52 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.827 0.346 . . . . 71.14 110.886 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.91 42.16 1.04 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.708 -0.758 . . . . 61.44 112.507 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.497 ' HG ' ' N ' ' A' ' 5' ' ' GLY . 2.1 p -123.5 163.71 20.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.861 0.362 . . . . 61.11 110.862 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -97.85 -168.99 1.75 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 62.4 111.158 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 20.2 pttp . . . . . 0 C--N 1.328 -0.349 0 CA-C-O 121.421 0.629 . . . . 63.43 110.877 179.991 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 1.448 ' SG ' ' HB1' ' A' ' 18' ' ' ALA . 53.9 t . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.867 0.365 . . . . 62.24 110.913 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -174.36 -35.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 74.24 111.113 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -152.75 -77.65 0.12 Allowed 'General case' 0 CA--C 1.593 2.631 0 N-CA-C 107.531 -1.285 . . . . 53.4 107.531 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 45.4 t -46.91 -75.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 72.11 110.864 -178.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 21.8 m -71.63 130.55 41.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.085 -0.507 . . . . 74.2 110.922 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.46 ' O ' ' HB3' ' A' ' 18' ' ' ALA . . . -53.43 -24.06 11.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 63.32 111.105 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 1.448 ' HB1' ' SG ' ' A' ' 12' ' ' CYS . . . 76.05 -62.21 0.44 Allowed 'General case' 0 CA--C 1.594 2.654 0 N-CA-C 107.55 -1.278 . . . . 61.24 107.55 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 83.1 p . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 61.31 110.871 -178.795 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.498 -0.241 . . . . 25.0 112.498 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -65.37 -14.81 61.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.932 0.396 . . . . 64.22 110.912 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.58 15.09 12.92 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.738 -0.744 . . . . 43.5 112.471 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -53.16 156.8 2.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.839 0.352 . . . . 52.45 110.897 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -99.29 172.94 7.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 72.15 111.092 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.4 mmtm . . . . . 0 C--N 1.328 -0.337 0 CA-C-O 121.417 0.627 . . . . 71.21 110.914 179.939 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 1.467 ' SG ' ' HB1' ' A' ' 18' ' ' ALA . 42.0 t . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.828 0.347 . . . . 73.33 110.819 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -172.0 -36.52 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 70.24 111.135 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -166.73 -69.33 0.03 OUTLIER 'General case' 0 CA--C 1.593 2.622 0 N-CA-C 107.563 -1.273 . . . . 74.03 107.563 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 23.8 t -45.27 -42.53 9.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 73.15 110.836 -178.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 25.1 m -115.0 137.97 51.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.474 . . . . 73.32 110.901 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.452 ' O ' ' HB3' ' A' ' 18' ' ' ALA . . . -54.93 -23.16 17.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 65.32 111.076 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 1.467 ' HB1' ' SG ' ' A' ' 12' ' ' CYS . . . 75.87 -61.87 0.45 Allowed 'General case' 0 CA--C 1.594 2.668 0 N-CA-C 107.551 -1.277 . . . . 74.32 107.551 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 68.1 m . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 52.01 110.853 -178.778 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.518 ' N ' ' HG ' ' A' ' 8' ' ' CYS . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.477 -0.249 . . . . 44.54 112.477 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -153.39 93.13 1.67 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.837 0.351 . . . . 73.41 110.889 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.41 44.19 3.03 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.736 -0.745 . . . . 72.51 112.47 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.518 ' HG ' ' N ' ' A' ' 5' ' ' GLY . 6.7 p -117.46 159.13 23.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.862 0.363 . . . . 62.41 110.85 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -79.6 159.79 26.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 54.11 111.109 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-O 121.413 0.625 . . . . 75.24 110.88 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 1.638 ' SG ' ' HB2' ' A' ' 18' ' ' ALA . 8.2 t . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.813 0.34 . . . . 75.04 110.894 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -179.7 -34.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 75.12 111.094 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -164.42 -69.77 0.04 OUTLIER 'General case' 0 CA--C 1.593 2.614 0 N-CA-C 107.582 -1.266 . . . . 74.0 107.582 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 35.4 t -50.04 -39.82 43.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.457 . . . . 71.01 110.828 -178.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 5.1 m -122.95 164.12 19.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 72.3 110.865 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.456 ' O ' ' HB3' ' A' ' 18' ' ' ALA . . . -99.75 -7.97 24.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 72.1 111.089 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 1.638 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . . . 75.01 -67.4 0.25 Allowed 'General case' 0 CA--C 1.593 2.628 0 N-CA-C 107.574 -1.269 . . . . 61.0 107.574 179.813 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 84.1 p . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 74.44 110.863 -178.812 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.573 ' N ' ' HG ' ' A' ' 8' ' ' CYS . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.474 -0.251 . . . . 64.02 112.474 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 61.55 66.48 0.85 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.839 0.352 . . . . 53.24 110.844 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.46 38.58 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.782 -0.723 . . . . 71.15 112.507 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.573 ' HG ' ' N ' ' A' ' 5' ' ' GLY . 1.8 p -133.75 138.75 45.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.814 0.34 . . . . 74.34 110.881 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.58 -176.95 0.51 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 54.15 111.073 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 29.2 pttt . . . . . 0 C--N 1.329 -0.289 0 CA-C-O 121.379 0.609 . . . . 73.14 110.916 179.991 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 1.562 ' SG ' ' HB2' ' A' ' 18' ' ' ALA . 16.1 t . . . . . 0 N--CA 1.457 -0.082 0 CA-C-O 120.886 0.374 . . . . 62.12 110.884 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -179.94 -33.92 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 51.35 111.103 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -149.39 -74.89 0.17 Allowed 'General case' 0 CA--C 1.593 2.631 0 N-CA-C 107.571 -1.27 . . . . 60.01 107.571 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 69.5 m -54.64 -71.48 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 72.55 110.868 -178.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.7 m -83.2 154.47 24.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.079 -0.509 . . . . 43.12 110.892 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.446 ' O ' ' HB3' ' A' ' 18' ' ' ALA . . . -95.02 -8.29 37.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 30.2 111.113 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 1.562 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . . . 74.93 -66.1 0.31 Allowed 'General case' 0 CA--C 1.594 2.643 0 N-CA-C 107.526 -1.287 . . . . 73.04 107.526 179.728 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 27.3 p . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 73.34 110.874 -178.821 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.519 -0.233 . . . . 62.51 112.519 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -77.59 138.36 39.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.878 0.37 . . . . 73.54 110.855 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 59.48 27.44 63.45 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.688 -0.767 . . . . 73.45 112.475 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.1 t -67.67 165.12 17.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.828 0.347 . . . . 74.42 110.901 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -92.26 -174.46 3.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 72.33 111.121 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.8 mtmm . . . . . 0 C--N 1.328 -0.357 0 CA-C-O 121.393 0.616 . . . . 63.42 110.931 179.986 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 1.395 ' SG ' ' CB ' ' A' ' 18' ' ' ALA . 33.0 t . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.87 0.367 . . . . 64.13 110.874 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.61 -33.52 75.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 72.24 111.102 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.4 ' O ' ' CB ' ' A' ' 15' ' ' SER . . . 178.29 164.63 0.74 Allowed 'General case' 0 CA--C 1.593 2.618 0 N-CA-C 107.602 -1.259 . . . . 55.45 107.602 179.774 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.4 ' CB ' ' O ' ' A' ' 14' ' ' ALA . 0.2 OUTLIER 76.75 -53.98 0.58 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 42.33 110.841 -178.775 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 20.3 m -90.96 160.25 15.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 74.21 110.874 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.443 ' O ' ' HB3' ' A' ' 18' ' ' ALA . . . -80.36 -10.1 59.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 73.15 111.134 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 1.395 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . . . 74.37 -66.87 0.28 Allowed 'General case' 0 CA--C 1.593 2.612 0 N-CA-C 107.59 -1.263 . . . . 53.45 107.59 179.804 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.2 p . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 75.32 110.883 -178.761 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.485 -0.246 . . . . 43.11 112.485 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.6 t0 50.95 50.68 18.6 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.785 0.326 . . . . 74.5 110.858 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.33 -6.99 3.68 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.724 -0.751 . . . . 50.04 112.472 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 35.3 t -87.86 138.22 31.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.788 0.328 . . . . 73.1 110.913 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -118.15 167.71 11.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 75.32 111.15 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 20.6 mmtt . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 121.397 0.618 . . . . 73.41 110.901 179.975 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 1.606 ' SG ' ' HB2' ' A' ' 18' ' ' ALA . 9.1 t . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.847 0.356 . . . . 70.31 110.856 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -178.89 -34.68 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 73.41 111.115 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -162.38 -67.65 0.05 Allowed 'General case' 0 CA--C 1.594 2.666 0 N-CA-C 107.561 -1.274 . . . . 63.45 107.561 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 62.8 m -52.8 -44.31 66.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 51.15 110.874 -178.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.4 m -118.61 157.43 27.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 72.22 110.877 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.447 ' O ' ' HB3' ' A' ' 18' ' ' ALA . . . -93.61 -7.98 42.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 65.14 111.128 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 1.606 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . . . 74.91 -67.15 0.26 Allowed 'General case' 0 CA--C 1.593 2.624 0 N-CA-C 107.542 -1.281 . . . . 55.23 107.542 179.789 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 30.9 t . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 71.14 110.829 -178.787 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.479 -0.248 . . . . 44.23 112.479 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -53.37 -76.04 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.787 0.327 . . . . 72.24 110.88 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.94 51.32 4.54 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.706 -0.759 . . . . 72.03 112.494 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.7 t -69.32 147.57 50.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.797 0.332 . . . . 74.12 110.882 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.46 105.82 3.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 63.14 111.109 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 121.394 0.616 . . . . 73.25 110.922 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 1.4 ' SG ' ' CB ' ' A' ' 18' ' ' ALA . 48.6 t . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.8 0.333 . . . . 62.13 110.887 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -174.22 -36.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 75.01 111.058 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -165.86 -70.61 0.03 OUTLIER 'General case' 0 CA--C 1.594 2.641 0 N-CA-C 107.554 -1.276 . . . . 55.13 107.554 179.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 46.1 m -44.99 -42.53 8.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 73.34 110.877 -178.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 27.2 m -114.88 138.48 50.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.088 -0.505 . . . . 64.03 110.872 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.47 ' O ' ' HB3' ' A' ' 18' ' ' ALA . . . -57.0 -21.05 27.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 72.44 111.133 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 1.4 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . . . 76.17 -62.61 0.42 Allowed 'General case' 0 CA--C 1.594 2.659 0 N-CA-C 107.539 -1.282 . . . . 52.15 107.539 179.773 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.7 m . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 62.41 110.878 -178.821 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.514 -0.234 . . . . 70.23 112.514 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -72.95 140.18 47.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.864 0.364 . . . . 71.51 110.85 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 51.87 27.24 20.32 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.731 -0.747 . . . . 61.25 112.517 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 2.0 t -62.5 145.13 55.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.868 0.366 . . . . 75.43 110.827 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.672 ' HB3' ' HB3' ' A' ' 14' ' ' ALA . . . -67.8 153.7 43.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.108 -0.496 . . . . 71.33 111.091 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 26.9 mmtt . . . . . 0 C--N 1.328 -0.357 0 CA-C-O 121.415 0.626 . . . . 72.4 110.94 179.913 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 1.383 ' SG ' ' CB ' ' A' ' 18' ' ' ALA . 25.8 t . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.834 0.349 . . . . 64.32 110.851 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.574 ' CB ' ' HB1' ' A' ' 9' ' ' ALA . . . -64.59 -34.05 77.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 42.54 111.071 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.672 ' HB3' ' HB3' ' A' ' 9' ' ' ALA . . . 177.03 165.16 0.52 Allowed 'General case' 0 CA--C 1.594 2.659 0 N-CA-C 107.498 -1.297 . . . . 65.31 107.498 179.794 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.413 ' CB ' ' O ' ' A' ' 14' ' ' ALA . 0.4 OUTLIER 77.02 -54.45 0.56 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.116 -0.493 . . . . 61.42 110.841 -178.837 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 34.8 m -88.04 169.19 12.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.162 -0.472 . . . . 74.3 110.92 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.429 ' O ' ' HB3' ' A' ' 18' ' ' ALA . . . -88.5 -11.88 44.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 62.43 111.086 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 1.383 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . . . 73.98 -67.51 0.26 Allowed 'General case' 0 CA--C 1.593 2.605 0 N-CA-C 107.567 -1.272 . . . . 54.24 107.567 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 99.2 p . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 73.31 110.867 -178.802 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.493 -0.243 . . . . 52.44 112.493 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -73.72 138.19 44.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.838 0.351 . . . . 74.52 110.888 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 56.94 22.42 41.73 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.747 -0.74 . . . . 72.34 112.525 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 2.7 t -55.51 135.65 50.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.783 0.325 . . . . 62.21 110.876 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.506 ' HB1' ' CB ' ' A' ' 13' ' ' ALA . . . -63.09 167.14 5.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 51.34 111.091 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.8 mmtt . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 121.369 0.604 . . . . 75.51 110.931 179.92 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 1.403 ' SG ' ' CB ' ' A' ' 18' ' ' ALA . 22.5 t . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.848 0.356 . . . . 53.4 110.878 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.506 ' CB ' ' HB1' ' A' ' 9' ' ' ALA . . . -63.83 -34.32 77.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 54.25 111.124 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.407 ' HB3' ' HB3' ' A' ' 9' ' ' ALA . . . 175.73 165.7 0.36 Allowed 'General case' 0 CA--C 1.594 2.641 0 N-CA-C 107.572 -1.27 . . . . 63.22 107.572 179.794 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.407 ' CB ' ' O ' ' A' ' 14' ' ' ALA . 0.3 OUTLIER 77.32 -50.58 0.54 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 44.11 110.849 -178.793 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 34.8 m -92.77 170.65 9.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 72.14 110.889 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.435 ' O ' ' HB3' ' A' ' 18' ' ' ALA . . . -89.49 -10.93 44.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 63.11 111.154 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 1.403 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . . . 73.8 -67.94 0.24 Allowed 'General case' 0 CA--C 1.593 2.634 0 N-CA-C 107.533 -1.284 . . . . 64.12 107.533 179.788 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.1 m . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 65.14 110.876 -178.785 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.521 -0.232 . . . . 52.45 112.521 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -66.01 89.43 0.12 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.83 0.347 . . . . 73.43 110.844 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 121.69 -14.47 9.19 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.745 -0.74 . . . . 51.24 112.473 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 33.9 t -73.79 141.41 46.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.841 0.353 . . . . 74.32 110.856 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -105.97 -170.75 1.78 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 74.34 111.119 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-O 121.398 0.618 . . . . 62.22 110.941 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 1.604 ' SG ' ' HB2' ' A' ' 18' ' ' ALA . 13.4 t . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.845 0.355 . . . . 73.23 110.913 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -178.94 -34.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 65.13 111.092 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -152.01 -71.32 0.16 Allowed 'General case' 0 CA--C 1.594 2.651 0 N-CA-C 107.535 -1.283 . . . . 54.34 107.535 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 30.3 t -55.52 -69.42 0.14 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 75.03 110.881 -178.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.0 m -86.56 157.03 19.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 73.54 110.89 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.453 ' O ' ' HB3' ' A' ' 18' ' ' ALA . . . -95.99 -8.92 32.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 75.24 111.11 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 1.604 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . . . 74.83 -66.2 0.31 Allowed 'General case' 0 CA--C 1.593 2.624 0 N-CA-C 107.624 -1.251 . . . . 73.23 107.624 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.6 p . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.098 -0.501 . . . . 74.42 110.827 -178.786 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.5 ' N ' ' HG ' ' A' ' 8' ' ' CYS . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.519 -0.232 . . . . 51.24 112.519 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -156.84 100.95 1.93 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.833 0.349 . . . . 74.21 110.871 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.42 46.84 7.78 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.747 -0.74 . . . . 60.11 112.506 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.5 ' HG ' ' N ' ' A' ' 5' ' ' GLY . 7.9 p -114.49 161.82 17.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.827 0.346 . . . . 73.15 110.861 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.485 ' O ' ' HB3' ' A' ' 14' ' ' ALA . . . -92.61 163.77 13.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 63.43 111.049 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 121.408 0.623 . . . . 73.52 110.909 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 1.466 ' SG ' ' HB1' ' A' ' 18' ' ' ALA . 35.2 t . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.851 0.357 . . . . 71.03 110.904 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -74.13 -29.14 61.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 31.43 111.104 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.485 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . 176.89 162.84 0.45 Allowed 'General case' 0 CA--C 1.594 2.635 0 N-CA-C 107.599 -1.26 . . . . 52.24 107.599 179.77 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.42 ' CB ' ' O ' ' A' ' 14' ' ' ALA . 1.2 t 77.42 -58.84 0.48 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 72.32 110.861 -178.775 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 23.1 m -85.95 156.09 20.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 65.22 110.839 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.458 ' O ' ' HB3' ' A' ' 18' ' ' ALA . . . -72.84 -19.54 61.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 72.03 111.076 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 1.466 ' HB1' ' SG ' ' A' ' 12' ' ' CYS . . . 75.31 -61.8 0.47 Allowed 'General case' 0 CA--C 1.595 2.674 0 N-CA-C 107.551 -1.277 . . . . 63.21 107.551 179.79 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.6 p . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 62.51 110.86 -178.808 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 N-CA-C 112.52 -0.232 . . . . 62.03 112.52 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -90.23 137.46 32.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.855 0.36 . . . . 72.34 110.876 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 55.45 46.53 80.38 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.696 -0.764 . . . . 74.12 112.538 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -95.71 162.55 13.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.787 0.327 . . . . 52.04 110.913 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -101.03 -169.03 1.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 72.11 111.139 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.5 ptpp? . . . . . 0 C--N 1.328 -0.345 0 CA-C-O 121.439 0.638 . . . . 65.14 110.876 179.959 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 1.383 ' SG ' ' CB ' ' A' ' 18' ' ' ALA . 46.2 t . . . . . 0 N--CA 1.458 -0.071 0 CA-C-O 120.822 0.344 . . . . 44.41 110.88 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -158.29 -38.07 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 74.43 111.122 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -164.8 -67.19 0.04 OUTLIER 'General case' 0 CA--C 1.593 2.622 0 N-CA-C 107.617 -1.253 . . . . 65.32 107.617 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 60.2 m -45.71 -48.39 15.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 63.02 110.875 -178.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 21.7 m -107.7 141.95 38.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.102 -0.499 . . . . 72.11 110.863 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.459 ' O ' ' HB3' ' A' ' 18' ' ' ALA . . . -61.2 -17.49 53.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 44.44 111.052 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 1.383 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . . . 76.01 -63.39 0.4 Allowed 'General case' 0 CA--C 1.594 2.639 0 N-CA-C 107.593 -1.262 . . . . 71.5 107.593 179.775 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.0 t . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 73.44 110.877 -178.865 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.845 0.355 . . . . 71.14 111.108 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 1.603 ' SG ' ' HB1' ' A' ' 14' ' ' ALA . 4.3 t -156.48 126.59 6.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 75.23 110.879 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -61.05 -17.71 52.6 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.728 -0.749 . . . . 74.23 112.462 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' DBB . . . . . 1.671 ' HB3' ' SG ' ' A' ' 8' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -90.89 -149.95 23.99 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.686 -0.769 . . . . 72.25 112.487 -177.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -76.51 131.13 38.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.829 0.347 . . . . 72.41 110.889 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.64 12.02 82.78 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.743 -0.741 . . . . 65.02 112.498 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 1.671 ' SG ' ' HB3' ' A' ' 4' ' ' DBB . 0.6 OUTLIER -53.73 171.07 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.834 0.349 . . . . 55.42 110.904 -179.906 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -98.09 142.55 29.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 72.24 111.131 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.9 ptmt -106.52 153.33 22.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.346 0.593 . . . . 72.31 110.948 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' DBB . . . . . 1.653 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 1.662 ' SG ' ' HB2' ' A' ' 18' ' ' ALA . 8.9 t -66.26 89.37 0.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 118.604 0.638 . . . . 74.14 110.894 -177.456 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -178.33 -34.87 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.176 -0.466 . . . . 71.24 111.084 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 1.603 ' HB1' ' SG ' ' A' ' 2' ' ' CYS . . . -162.81 -68.22 0.05 OUTLIER 'General case' 0 CA--C 1.593 2.628 0 N-CA-C 107.597 -1.26 . . . . 74.03 107.597 179.79 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 72.0 m -51.82 -42.95 62.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 75.53 110.864 -178.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 1.653 ' SG ' ' HB3' ' A' ' 11' ' ' DBB . 4.3 m -120.12 158.53 26.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.478 . . . . 64.25 110.923 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.447 ' O ' ' HB3' ' A' ' 18' ' ' ALA . . . -94.62 -7.53 40.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 53.05 111.122 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 1.662 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . . . 74.94 -67.4 0.25 Allowed 'General case' 0 CA--C 1.594 2.641 0 N-CA-C 107.541 -1.281 . . . . 70.13 107.541 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.9 t . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 73.52 110.855 -178.809 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.833 0.349 . . . . 72.3 111.145 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 1.391 ' SG ' ' CB ' ' A' ' 14' ' ' ALA . 3.4 t -74.52 -45.89 42.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 35.44 110.888 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 95.05 -22.55 37.75 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.725 -0.75 . . . . 72.23 112.446 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' DBB . . . . . 1.654 ' HB3' ' SG ' ' A' ' 8' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -92.66 -147.22 20.92 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.725 -0.75 . . . . 53.02 112.498 -177.418 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -77.4 133.34 38.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.843 0.354 . . . . 74.03 110.907 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.12 12.0 75.42 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.734 -0.746 . . . . 75.05 112.449 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 1.654 ' SG ' ' HB3' ' A' ' 4' ' ' DBB . 0.5 OUTLIER -55.4 172.68 0.14 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.79 0.328 . . . . 64.31 110.9 -179.855 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -96.86 176.45 5.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 72.53 111.052 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 27.2 pttt -134.6 158.27 44.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.447 0.641 . . . . 63.41 110.892 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' DBB . . . . . 1.766 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 1.6 ' SG ' ' HB2' ' A' ' 18' ' ' ALA . 14.5 t -71.63 87.5 0.93 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 118.488 0.585 . . . . 51.54 110.904 -177.449 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -178.26 -34.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 65.45 111.054 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 1.391 ' CB ' ' SG ' ' A' ' 2' ' ' CYS . . . -152.85 -69.75 0.15 Allowed 'General case' 0 CA--C 1.593 2.623 0 N-CA-C 107.575 -1.268 . . . . 63.2 107.575 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 75.0 m -56.16 -65.8 0.54 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.16 -0.473 . . . . 71.42 110.855 -178.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 1.766 ' SG ' ' HB3' ' A' ' 11' ' ' DBB . 3.8 m -91.87 151.79 20.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.14 -0.482 . . . . 60.13 110.89 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.449 ' O ' ' HB3' ' A' ' 18' ' ' ALA . . . -90.9 -8.33 49.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 71.42 111.095 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 1.6 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . . . 74.88 -66.49 0.29 Allowed 'General case' 0 CA--C 1.593 2.628 0 N-CA-C 107.555 -1.276 . . . . 75.12 107.555 179.762 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.3 p . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 65.1 110.866 -178.815 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.872 0.368 . . . . 71.15 111.08 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 1.379 ' SG ' ' CB ' ' A' ' 14' ' ' ALA . 0.1 OUTLIER -110.43 125.83 53.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 62.32 110.886 -179.947 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -53.78 -26.26 32.25 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.672 -0.775 . . . . 74.22 112.525 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' DBB . . . . . 1.679 ' HB3' ' SG ' ' A' ' 8' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -169.24 -35.54 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.767 -0.73 . . . . 65.14 112.515 -177.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -165.19 70.32 0.15 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.855 0.359 . . . . 74.34 110.812 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 134.54 38.68 0.2 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.741 -0.743 . . . . 52.13 112.501 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 1.679 ' SG ' ' HB3' ' A' ' 4' ' ' DBB . 1.8 p -124.71 151.25 45.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.888 0.375 . . . . 72.14 110.847 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -95.75 -177.27 3.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 75.31 111.07 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.68 155.41 29.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.404 0.621 . . . . 71.24 110.872 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' DBB . . . . . 1.704 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 1.592 ' SG ' ' HB2' ' A' ' 18' ' ' ALA . 14.4 t -71.36 87.66 0.86 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 118.539 0.609 . . . . 34.55 110.904 -177.45 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -178.67 -34.38 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 70.12 111.17 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 1.379 ' CB ' ' SG ' ' A' ' 2' ' ' CYS . . . -153.28 -69.87 0.15 Allowed 'General case' 0 CA--C 1.593 2.633 0 N-CA-C 107.566 -1.272 . . . . 71.34 107.566 179.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 33.2 t -56.19 -65.59 0.58 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 71.44 110.856 -178.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 1.704 ' SG ' ' HB3' ' A' ' 11' ' ' DBB . 3.9 m -92.11 152.01 20.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.121 -0.491 . . . . 72.34 110.869 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.451 ' O ' ' HB3' ' A' ' 18' ' ' ALA . . . -91.08 -8.7 48.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 54.13 111.102 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 1.592 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . . . 74.89 -66.3 0.3 Allowed 'General case' 0 CA--C 1.593 2.614 0 N-CA-C 107.586 -1.264 . . . . 74.14 107.586 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 34.2 t . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 73.33 110.826 -178.809 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.796 0.331 . . . . 53.23 111.116 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 1.625 ' SG ' ' HB1' ' A' ' 14' ' ' ALA . 4.0 t -83.51 122.59 28.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 61.22 110.916 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -60.81 -16.1 44.8 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.764 -0.731 . . . . 61.4 112.53 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' DBB . . . . . 1.703 ' HB3' ' SG ' ' A' ' 8' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.23 -173.6 21.39 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.751 -0.738 . . . . 64.25 112.513 -177.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.68 -8.72 56.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.862 0.363 . . . . 71.11 110.875 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.64 15.52 8.51 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.779 -0.724 . . . . 33.22 112.486 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 1.703 ' SG ' ' HB3' ' A' ' 4' ' ' DBB . 0.1 OUTLIER -52.69 160.34 0.92 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.84 0.352 . . . . 72.44 110.91 -179.927 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -94.95 -169.08 1.93 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 50.52 111.103 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.9 pptp? -136.81 155.84 49.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.399 0.619 . . . . 74.13 110.89 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' DBB . . . . . 1.656 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 1.651 ' SG ' ' HB2' ' A' ' 18' ' ' ALA . 8.6 t -67.58 86.6 0.2 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 118.523 0.601 . . . . 64.4 110.885 -177.447 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -174.11 -35.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 73.11 111.118 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 1.625 ' HB1' ' SG ' ' A' ' 2' ' ' CYS . . . -162.6 -65.92 0.05 OUTLIER 'General case' 0 CA--C 1.593 2.609 0 N-CA-C 107.57 -1.271 . . . . 65.4 107.57 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 28.4 t -52.92 -46.46 68.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 55.21 110.804 -178.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 1.656 ' SG ' ' HB3' ' A' ' 11' ' ' DBB . 5.0 m -115.23 162.73 16.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.151 -0.477 . . . . 64.35 110.877 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.452 ' O ' ' HB3' ' A' ' 18' ' ' ALA . . . -98.15 -8.03 28.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 43.45 111.104 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 1.651 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . . . 74.82 -67.44 0.25 Allowed 'General case' 0 CA--C 1.593 2.629 0 N-CA-C 107.568 -1.271 . . . . 74.3 107.568 179.761 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 74.21 110.865 -178.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.827 0.346 . . . . 71.34 111.118 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 1.676 ' SG ' ' HB1' ' A' ' 14' ' ' ALA . 3.0 t -121.18 133.93 55.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 62.43 110.852 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -66.29 -15.79 63.89 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.718 -0.753 . . . . 72.13 112.498 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' DBB . . . . . 1.718 ' HB3' ' SG ' ' A' ' 8' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -92.71 -147.19 20.93 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.763 -0.732 . . . . 43.04 112.485 -177.422 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -78.13 132.49 37.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.832 0.348 . . . . 64.22 110.886 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 76.23 5.59 81.63 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.754 -0.736 . . . . 72.5 112.524 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 1.718 ' SG ' ' HB3' ' A' ' 4' ' ' DBB . 0.5 OUTLIER -52.03 166.87 0.14 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.849 0.357 . . . . 75.44 110.895 -179.907 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -103.64 144.62 31.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 72.32 111.089 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.0 ptpp? -104.44 158.37 16.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.392 0.615 . . . . 64.23 110.953 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' DBB . . . . . 1.657 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 1.487 ' SG ' ' HB1' ' A' ' 18' ' ' ALA . 42.5 t -66.87 84.86 0.12 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 118.537 0.608 . . . . 72.22 110.885 -177.436 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -172.13 -36.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.477 . . . . 74.22 111.065 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 1.676 ' HB1' ' SG ' ' A' ' 2' ' ' CYS . . . -166.55 -70.4 0.03 OUTLIER 'General case' 0 CA--C 1.594 2.646 0 N-CA-C 107.56 -1.274 . . . . 70.05 107.56 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.5 t -44.18 -41.35 5.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 73.43 110.864 -178.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 1.657 ' SG ' ' HB3' ' A' ' 11' ' ' DBB . 25.0 m -116.63 136.53 52.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 61.44 110.843 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.458 ' O ' ' HB3' ' A' ' 18' ' ' ALA . . . -52.79 -25.4 11.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 61.34 111.104 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 1.487 ' HB1' ' SG ' ' A' ' 12' ' ' CYS . . . 75.96 -61.69 0.45 Allowed 'General case' 0 CA--C 1.593 2.63 0 N-CA-C 107.586 -1.264 . . . . 63.51 107.586 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 43.2 t . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.49 . . . . 73.11 110.859 -178.816 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.841 0.353 . . . . 72.13 111.077 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 1.642 ' SG ' ' HB1' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -117.22 135.5 53.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 74.34 110.861 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -72.05 -14.01 76.15 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.739 -0.744 . . . . 21.2 112.457 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' DBB . . . . . 1.693 ' HB3' ' SG ' ' A' ' 8' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -94.42 -142.28 12.28 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.73 -0.748 . . . . 25.33 112.434 -177.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -76.43 141.17 41.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.827 0.346 . . . . 72.13 110.889 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.32 16.87 55.22 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.747 -0.74 . . . . 55.12 112.508 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 1.693 ' SG ' ' HB3' ' A' ' 4' ' ' DBB . 1.8 t -66.98 153.22 44.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.854 0.359 . . . . 71.33 110.891 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -93.72 141.34 28.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 74.34 111.062 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.6 ptmt -104.25 157.42 17.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.401 0.619 . . . . 73.24 110.89 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' DBB . . . . . 1.682 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 1.464 ' SG ' ' HB1' ' A' ' 18' ' ' ALA . 42.2 t -66.96 84.35 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 118.561 0.619 . . . . 71.12 110.889 -177.432 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -171.13 -36.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 54.32 111.107 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 1.642 ' HB1' ' SG ' ' A' ' 2' ' ' CYS . . . -166.15 -69.46 0.03 OUTLIER 'General case' 0 CA--C 1.594 2.65 0 N-CA-C 107.566 -1.272 . . . . 70.12 107.566 179.788 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.7 t -45.12 -42.38 8.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 54.43 110.847 -178.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 1.682 ' SG ' ' HB3' ' A' ' 11' ' ' DBB . 24.3 m -115.11 136.79 52.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 62.32 110.897 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.457 ' O ' ' HB3' ' A' ' 18' ' ' ALA . . . -53.82 -23.9 13.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 55.43 111.13 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 1.464 ' HB1' ' SG ' ' A' ' 12' ' ' CYS . . . 75.93 -61.57 0.46 Allowed 'General case' 0 CA--C 1.594 2.638 0 N-CA-C 107.537 -1.283 . . . . 61.43 107.537 179.75 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 21.5 t . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 74.14 110.867 -178.796 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.798 0.332 . . . . 63.15 111.123 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 1.384 ' SG ' ' CB ' ' A' ' 14' ' ' ALA . 0.1 OUTLIER -79.75 -20.79 45.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.297 -0.411 . . . . 74.13 110.896 -179.929 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 100.35 -52.89 0.95 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.747 -0.74 . . . . 44.3 112.45 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' DBB . . . . . 1.702 ' HB3' ' SG ' ' A' ' 8' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -164.41 -36.82 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.756 -0.735 . . . . 65.12 112.521 -177.422 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -159.9 95.55 1.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.822 0.344 . . . . 75.14 110.846 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.25 45.49 3.79 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.79 -0.719 . . . . 62.53 112.491 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 1.702 ' SG ' ' HB3' ' A' ' 4' ' ' DBB . 5.4 p -119.81 166.65 12.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.834 0.35 . . . . 34.44 110.878 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -98.7 -174.69 2.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 73.25 111.089 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 18.9 mttm -137.19 159.48 41.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.421 0.629 . . . . 71.0 110.919 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' DBB . . . . . 1.68 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 1.571 ' SG ' ' HB2' ' A' ' 18' ' ' ALA . 15.4 t -74.0 83.1 1.74 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 118.503 0.592 . . . . 71.53 110.868 -177.381 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -173.89 -35.06 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 52.45 111.111 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 1.384 ' CB ' ' SG ' ' A' ' 2' ' ' CYS . . . -150.3 -71.4 0.18 Allowed 'General case' 0 CA--C 1.593 2.633 0 N-CA-C 107.576 -1.268 . . . . 61.11 107.576 179.772 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 41.9 t -55.98 -71.66 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 64.43 110.838 -178.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 1.68 ' SG ' ' HB3' ' A' ' 11' ' ' DBB . 3.8 m -82.86 155.88 23.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 73.23 110.882 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.444 ' O ' ' HB3' ' A' ' 18' ' ' ALA . . . -95.84 -8.4 34.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 63.43 111.067 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 1.571 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . . . 74.69 -66.21 0.31 Allowed 'General case' 0 CA--C 1.594 2.654 0 N-CA-C 107.53 -1.285 . . . . 75.21 107.53 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 71.24 110.822 -178.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.828 0.347 . . . . 64.3 111.122 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 1.673 ' SG ' ' HB1' ' A' ' 14' ' ' ALA . 20.7 t -81.12 -26.65 35.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 65.24 110.836 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 92.82 -26.1 16.11 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.758 -0.734 . . . . 74.04 112.537 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' DBB . . . . . 1.728 ' HB3' ' SG ' ' A' ' 8' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -98.34 -140.08 11.19 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.741 -0.742 . . . . 71.43 112.502 -177.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -78.52 138.35 38.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.801 0.334 . . . . 62.32 110.893 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.63 11.82 66.12 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.729 -0.748 . . . . 64.13 112.519 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 1.728 ' SG ' ' HB3' ' A' ' 4' ' ' DBB . 0.5 OUTLIER -66.84 162.51 21.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.837 0.351 . . . . 73.52 110.869 -179.912 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -105.93 177.03 4.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 53.41 111.089 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 50.6 pttt -129.84 153.65 48.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.437 0.637 . . . . 73.3 110.927 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' DBB . . . . . 1.678 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 1.491 ' SG ' ' HB1' ' A' ' 18' ' ' ALA . 42.4 t -65.06 86.5 0.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 118.528 0.604 . . . . 73.25 110.911 -177.419 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -174.33 -36.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 75.25 111.085 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 1.673 ' HB1' ' SG ' ' A' ' 2' ' ' CYS . . . -165.92 -71.55 0.03 OUTLIER 'General case' 0 CA--C 1.593 2.607 0 N-CA-C 107.536 -1.283 . . . . 64.43 107.536 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 26.7 t -44.2 -42.07 6.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 52.51 110.901 -178.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 1.678 ' SG ' ' HB3' ' A' ' 11' ' ' DBB . 27.3 m -115.18 134.6 55.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 74.51 110.876 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.463 ' O ' ' HB3' ' A' ' 18' ' ' ALA . . . -51.41 -26.92 8.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 64.33 111.108 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 1.491 ' HB1' ' SG ' ' A' ' 12' ' ' CYS . . . 76.25 -61.63 0.45 Allowed 'General case' 0 CA--C 1.594 2.64 0 N-CA-C 107.522 -1.288 . . . . 71.22 107.522 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 28.4 m . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 73.12 110.897 -178.792 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.848 0.356 . . . . 54.21 111.116 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 1.398 ' SG ' ' CB ' ' A' ' 14' ' ' ALA . 1.8 m -104.09 126.21 51.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 51.02 110.866 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -55.9 -27.46 50.6 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.757 -0.735 . . . . 72.44 112.509 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' DBB . . . . . 1.701 ' HB3' ' SG ' ' A' ' 8' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -163.11 -37.11 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.794 -0.717 . . . . 64.31 112.498 -177.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -163.09 85.31 0.52 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.827 0.346 . . . . 71.14 110.886 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.91 42.16 1.04 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.708 -0.758 . . . . 61.44 112.507 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 1.701 ' SG ' ' HB3' ' A' ' 4' ' ' DBB . 2.1 p -123.5 163.71 20.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.861 0.362 . . . . 61.11 110.862 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -97.85 -168.99 1.75 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 62.4 111.158 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 20.2 pttp -137.85 164.47 28.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.421 0.629 . . . . 63.43 110.877 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' DBB . . . . . 1.714 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 1.448 ' SG ' ' HB1' ' A' ' 18' ' ' ALA . 53.9 t -70.15 83.99 0.53 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 118.532 0.605 . . . . 62.24 110.913 -177.453 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -174.36 -35.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 74.24 111.113 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 1.398 ' CB ' ' SG ' ' A' ' 2' ' ' CYS . . . -152.75 -77.65 0.12 Allowed 'General case' 0 CA--C 1.593 2.631 0 N-CA-C 107.531 -1.285 . . . . 53.4 107.531 179.768 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 45.4 t -46.91 -75.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 72.11 110.864 -178.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 1.714 ' SG ' ' HB3' ' A' ' 11' ' ' DBB . 21.8 m -71.63 130.55 41.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.085 -0.507 . . . . 74.2 110.922 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.46 ' O ' ' HB3' ' A' ' 18' ' ' ALA . . . -53.43 -24.06 11.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 63.32 111.105 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 1.448 ' HB1' ' SG ' ' A' ' 12' ' ' CYS . . . 76.05 -62.21 0.44 Allowed 'General case' 0 CA--C 1.594 2.654 0 N-CA-C 107.55 -1.278 . . . . 61.24 107.55 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 83.1 p . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 61.31 110.871 -178.795 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.799 0.333 . . . . 70.31 111.075 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 1.642 ' SG ' ' HB1' ' A' ' 14' ' ' ALA . 4.7 t -163.98 125.27 2.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 75.04 110.869 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -59.64 -17.36 41.12 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.75 -0.738 . . . . 50.31 112.463 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' DBB . . . . . 1.637 ' HB3' ' SG ' ' A' ' 8' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -80.82 -178.98 52.72 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.772 -0.728 . . . . 25.0 112.498 -177.425 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -65.37 -14.81 61.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.932 0.396 . . . . 64.22 110.912 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.58 15.09 12.92 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.738 -0.744 . . . . 43.5 112.471 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 1.637 ' SG ' ' HB3' ' A' ' 4' ' ' DBB . 0.1 OUTLIER -53.16 156.8 2.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.839 0.352 . . . . 52.45 110.897 -179.913 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -99.29 172.94 7.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 72.15 111.092 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.4 mmtm -118.96 157.58 27.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.417 0.627 . . . . 71.21 110.914 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' DBB . . . . . 1.718 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 1.467 ' SG ' ' HB1' ' A' ' 18' ' ' ALA . 42.0 t -66.53 85.21 0.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 118.534 0.606 . . . . 73.33 110.819 -177.41 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -172.0 -36.52 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 70.24 111.135 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 1.642 ' HB1' ' SG ' ' A' ' 2' ' ' CYS . . . -166.73 -69.33 0.03 OUTLIER 'General case' 0 CA--C 1.593 2.622 0 N-CA-C 107.563 -1.273 . . . . 74.03 107.563 179.786 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 23.8 t -45.27 -42.53 9.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 73.15 110.836 -178.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 1.718 ' SG ' ' HB3' ' A' ' 11' ' ' DBB . 25.1 m -115.0 137.97 51.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.474 . . . . 73.32 110.901 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.452 ' O ' ' HB3' ' A' ' 18' ' ' ALA . . . -54.93 -23.16 17.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 65.32 111.076 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 1.467 ' HB1' ' SG ' ' A' ' 12' ' ' CYS . . . 75.87 -61.87 0.45 Allowed 'General case' 0 CA--C 1.594 2.668 0 N-CA-C 107.551 -1.277 . . . . 74.32 107.551 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 68.1 m . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 52.01 110.853 -178.778 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.822 0.344 . . . . 43.14 111.085 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 1.635 ' SG ' ' HB1' ' A' ' 14' ' ' ALA . 40.6 t -121.23 126.77 50.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 65.44 110.899 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 4' ' ' DBB . . . -54.22 -39.69 65.12 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.73 -0.748 . . . . 53.13 112.469 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' DBB . . . . . 1.71 ' HB3' ' SG ' ' A' ' 8' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -163.1 -45.36 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.727 -0.749 . . . . 44.54 112.477 -177.419 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -153.39 93.13 1.67 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.837 0.351 . . . . 73.41 110.889 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.41 44.19 3.03 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.736 -0.745 . . . . 72.51 112.47 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 1.71 ' SG ' ' HB3' ' A' ' 4' ' ' DBB . 6.7 p -117.46 159.13 23.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.862 0.363 . . . . 62.41 110.85 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -79.6 159.79 26.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 54.11 111.109 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -111.35 152.17 27.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.413 0.625 . . . . 75.24 110.88 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' DBB . . . . . 1.691 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 1.638 ' SG ' ' HB2' ' A' ' 18' ' ' ALA . 8.2 t -65.06 90.2 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 118.523 0.601 . . . . 75.04 110.894 -177.459 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -179.7 -34.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 75.12 111.094 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 1.635 ' HB1' ' SG ' ' A' ' 2' ' ' CYS . . . -164.42 -69.77 0.04 OUTLIER 'General case' 0 CA--C 1.593 2.614 0 N-CA-C 107.582 -1.266 . . . . 74.0 107.582 179.795 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 35.4 t -50.04 -39.82 43.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.457 . . . . 71.01 110.828 -178.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 1.691 ' SG ' ' HB3' ' A' ' 11' ' ' DBB . 5.1 m -122.95 164.12 19.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 72.3 110.865 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.456 ' O ' ' HB3' ' A' ' 18' ' ' ALA . . . -99.75 -7.97 24.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 72.1 111.089 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 1.638 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . . . 75.01 -67.4 0.25 Allowed 'General case' 0 CA--C 1.593 2.628 0 N-CA-C 107.574 -1.269 . . . . 61.0 107.574 179.813 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 84.1 p . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 74.44 110.863 -178.812 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.822 0.344 . . . . 61.44 111.122 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 1.385 ' SG ' ' CB ' ' A' ' 14' ' ' ALA . 0.5 OUTLIER -80.54 -26.99 37.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 61.23 110.847 -179.914 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 107.09 -43.27 1.72 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.732 -0.747 . . . . 34.23 112.481 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' DBB . . . . . 1.687 ' HB3' ' SG ' ' A' ' 8' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -173.02 81.79 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.738 -0.744 . . . . 64.02 112.474 -177.453 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 61.55 66.48 0.85 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.839 0.352 . . . . 53.24 110.844 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.46 38.58 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.782 -0.723 . . . . 71.15 112.507 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 1.687 ' SG ' ' HB3' ' A' ' 4' ' ' DBB . 1.8 p -133.75 138.75 45.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.814 0.34 . . . . 74.34 110.881 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.58 -176.95 0.51 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 54.15 111.073 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 29.2 pttt -128.95 158.65 38.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.379 0.609 . . . . 73.14 110.916 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' DBB . . . . . 1.671 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 1.562 ' SG ' ' HB2' ' A' ' 18' ' ' ALA . 16.1 t -74.01 87.01 1.83 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 118.542 0.61 . . . . 62.12 110.884 -177.433 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -179.94 -33.92 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 51.35 111.103 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 1.385 ' CB ' ' SG ' ' A' ' 2' ' ' CYS . . . -149.39 -74.89 0.17 Allowed 'General case' 0 CA--C 1.593 2.631 0 N-CA-C 107.571 -1.27 . . . . 60.01 107.571 179.78 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 69.5 m -54.64 -71.48 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 72.55 110.868 -178.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 1.671 ' SG ' ' HB3' ' A' ' 11' ' ' DBB . 3.7 m -83.2 154.47 24.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.079 -0.509 . . . . 43.12 110.892 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.446 ' O ' ' HB3' ' A' ' 18' ' ' ALA . . . -95.02 -8.29 37.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 30.2 111.113 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 1.562 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . . . 74.93 -66.1 0.31 Allowed 'General case' 0 CA--C 1.594 2.643 0 N-CA-C 107.526 -1.287 . . . . 73.04 107.526 179.728 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 27.3 p . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 73.34 110.874 -178.821 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.872 0.367 . . . . 74.43 111.124 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 1.43 ' SG ' ' HB2' ' A' ' 14' ' ' ALA . 0.1 OUTLIER -117.73 -50.07 2.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.264 -0.425 . . . . 71.55 110.916 -179.925 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 95.36 -29.69 9.24 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.752 -0.737 . . . . 42.41 112.464 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' DBB . . . . . 1.757 ' HB3' ' SG ' ' A' ' 8' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -95.83 -141.17 11.6 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.764 -0.731 . . . . 62.51 112.519 -177.484 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -77.59 138.36 39.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.878 0.37 . . . . 73.54 110.855 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 59.48 27.44 63.45 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.688 -0.767 . . . . 73.45 112.475 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 1.757 ' SG ' ' HB3' ' A' ' 4' ' ' DBB . 1.1 t -67.67 165.12 17.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.828 0.347 . . . . 74.42 110.901 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -92.26 -174.46 3.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 72.33 111.121 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.8 mtmm -133.87 160.29 38.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.393 0.616 . . . . 63.42 110.931 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' DBB . . . . . 1.777 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 1.395 ' SG ' ' CB ' ' A' ' 18' ' ' ALA . 33.0 t -61.59 -16.77 51.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 118.525 0.602 . . . . 64.13 110.874 -177.393 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.61 -33.52 75.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 72.24 111.102 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 1.43 ' HB2' ' SG ' ' A' ' 2' ' ' CYS . . . 178.29 164.63 0.74 Allowed 'General case' 0 CA--C 1.593 2.618 0 N-CA-C 107.602 -1.259 . . . . 55.45 107.602 179.774 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.4 ' CB ' ' O ' ' A' ' 14' ' ' ALA . 0.2 OUTLIER 76.75 -53.98 0.58 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 42.33 110.841 -178.775 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 1.777 ' SG ' ' HB3' ' A' ' 11' ' ' DBB . 20.3 m -90.96 160.25 15.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 74.21 110.874 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.443 ' O ' ' HB3' ' A' ' 18' ' ' ALA . . . -80.36 -10.1 59.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 73.15 111.134 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 1.395 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . . . 74.37 -66.87 0.28 Allowed 'General case' 0 CA--C 1.593 2.612 0 N-CA-C 107.59 -1.263 . . . . 53.45 107.59 179.804 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.2 p . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 75.32 110.883 -178.761 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.861 0.362 . . . . 74.04 111.142 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 1.63 ' SG ' ' HB1' ' A' ' 14' ' ' ALA . 10.3 t -125.07 142.1 51.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 62.42 110.869 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -59.45 -19.02 46.02 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.744 -0.741 . . . . 75.21 112.451 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' DBB . . . . . 1.651 ' HB3' ' SG ' ' A' ' 8' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 169.9 147.29 5.44 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.74 -0.743 . . . . 43.11 112.485 -177.49 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.6 t0 50.95 50.68 18.6 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.785 0.326 . . . . 74.5 110.858 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.33 -6.99 3.68 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.724 -0.751 . . . . 50.04 112.472 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 1.651 ' SG ' ' HB3' ' A' ' 4' ' ' DBB . 35.3 t -87.86 138.22 31.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.788 0.328 . . . . 73.1 110.913 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -118.15 167.71 11.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 75.32 111.15 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 20.6 mmtt -96.6 150.97 20.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.397 0.618 . . . . 73.41 110.901 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' DBB . . . . . 1.701 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 1.606 ' SG ' ' HB2' ' A' ' 18' ' ' ALA . 9.1 t -66.19 89.76 0.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 118.531 0.605 . . . . 70.31 110.856 -177.421 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -178.89 -34.68 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 73.41 111.115 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 1.63 ' HB1' ' SG ' ' A' ' 2' ' ' CYS . . . -162.38 -67.65 0.05 Allowed 'General case' 0 CA--C 1.594 2.666 0 N-CA-C 107.561 -1.274 . . . . 63.45 107.561 179.793 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 62.8 m -52.8 -44.31 66.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 51.15 110.874 -178.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 1.701 ' SG ' ' HB3' ' A' ' 11' ' ' DBB . 4.4 m -118.61 157.43 27.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 72.22 110.877 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.447 ' O ' ' HB3' ' A' ' 18' ' ' ALA . . . -93.61 -7.98 42.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 65.14 111.128 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 1.606 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . . . 74.91 -67.15 0.26 Allowed 'General case' 0 CA--C 1.593 2.624 0 N-CA-C 107.542 -1.281 . . . . 55.23 107.542 179.789 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 30.9 t . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 71.14 110.829 -178.787 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.828 0.347 . . . . 71.32 111.088 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 1.64 ' SG ' ' HB1' ' A' ' 14' ' ' ALA . 12.2 t -155.45 134.88 12.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 63.43 110.9 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -62.5 -15.36 52.74 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.745 -0.741 . . . . 53.15 112.483 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' DBB . . . . . 1.672 ' HB3' ' SG ' ' A' ' 8' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -75.86 -165.79 19.21 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.766 -0.731 . . . . 44.23 112.479 -177.437 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -53.37 -76.04 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.787 0.327 . . . . 72.24 110.88 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.94 51.32 4.54 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.706 -0.759 . . . . 72.03 112.494 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 1.672 ' SG ' ' HB3' ' A' ' 4' ' ' DBB . 1.7 t -69.32 147.57 50.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.797 0.332 . . . . 74.12 110.882 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.46 105.82 3.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 63.14 111.109 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.82 156.5 38.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.394 0.616 . . . . 73.25 110.922 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' DBB . . . . . 1.638 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 1.4 ' SG ' ' HB1' ' A' ' 18' ' ' ALA . 48.6 t -65.2 86.64 0.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 118.481 0.582 . . . . 62.13 110.887 -177.464 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -174.22 -36.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 75.01 111.058 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 1.64 ' HB1' ' SG ' ' A' ' 2' ' ' CYS . . . -165.86 -70.61 0.03 OUTLIER 'General case' 0 CA--C 1.594 2.641 0 N-CA-C 107.554 -1.276 . . . . 55.13 107.554 179.742 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 46.1 m -44.99 -42.53 8.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 73.34 110.877 -178.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 1.638 ' SG ' ' HB3' ' A' ' 11' ' ' DBB . 27.2 m -114.88 138.48 50.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.088 -0.505 . . . . 64.03 110.872 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.47 ' O ' ' HB3' ' A' ' 18' ' ' ALA . . . -57.0 -21.05 27.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 72.44 111.133 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 1.4 ' HB1' ' SG ' ' A' ' 12' ' ' CYS . . . 76.17 -62.61 0.42 Allowed 'General case' 0 CA--C 1.594 2.659 0 N-CA-C 107.539 -1.282 . . . . 52.15 107.539 179.773 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.7 m . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 62.41 110.878 -178.821 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.823 0.344 . . . . 64.52 111.115 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 1.711 ' SG ' ' HB1' ' A' ' 14' ' ' ALA . 14.2 t -132.89 -41.99 0.91 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 71.41 110.846 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 87.85 -12.75 62.84 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.764 -0.731 . . . . 71.35 112.492 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' DBB . . . . . 1.766 ' HB3' ' SG ' ' A' ' 8' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -102.92 -142.24 12.05 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.747 -0.74 . . . . 70.23 112.514 -177.463 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -72.95 140.18 47.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.864 0.364 . . . . 71.51 110.85 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 51.87 27.24 20.32 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.731 -0.747 . . . . 61.25 112.517 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 1.766 ' SG ' ' HB3' ' A' ' 4' ' ' DBB . 2.0 t -62.5 145.13 55.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.868 0.366 . . . . 75.43 110.827 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.672 ' HB3' ' HB3' ' A' ' 14' ' ' ALA . . . -67.8 153.7 43.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.108 -0.496 . . . . 71.33 111.091 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 26.9 mmtt -109.14 131.64 54.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.415 0.626 . . . . 72.4 110.94 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' DBB . . . . . 1.728 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 1.383 ' SG ' ' CB ' ' A' ' 18' ' ' ALA . 25.8 t -58.97 -18.91 38.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 118.511 0.596 . . . . 64.32 110.851 -177.406 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.574 ' CB ' ' HB1' ' A' ' 9' ' ' ALA . . . -64.59 -34.05 77.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 42.54 111.071 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 1.711 ' HB1' ' SG ' ' A' ' 2' ' ' CYS . . . 177.03 165.16 0.52 Allowed 'General case' 0 CA--C 1.594 2.659 0 N-CA-C 107.498 -1.297 . . . . 65.31 107.498 179.794 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.413 ' CB ' ' O ' ' A' ' 14' ' ' ALA . 0.4 OUTLIER 77.02 -54.45 0.56 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.116 -0.493 . . . . 61.42 110.841 -178.837 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 1.728 ' SG ' ' HB3' ' A' ' 11' ' ' DBB . 34.8 m -88.04 169.19 12.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.162 -0.472 . . . . 74.3 110.92 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.429 ' O ' ' HB3' ' A' ' 18' ' ' ALA . . . -88.5 -11.88 44.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 62.43 111.086 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 1.383 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . . . 73.98 -67.51 0.26 Allowed 'General case' 0 CA--C 1.593 2.605 0 N-CA-C 107.567 -1.272 . . . . 54.24 107.567 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 99.2 p . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 73.31 110.867 -178.802 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.794 0.33 . . . . 73.22 111.117 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 1.625 ' SG ' ' HB1' ' A' ' 14' ' ' ALA . 9.6 t -72.26 -45.65 59.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 74.53 110.877 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 86.26 -10.77 65.16 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.764 -0.731 . . . . 74.12 112.458 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' DBB . . . . . 1.652 ' HB3' ' SG ' ' A' ' 8' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -95.38 -145.6 19.17 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.744 -0.741 . . . . 52.44 112.493 -177.451 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -73.72 138.19 44.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.838 0.351 . . . . 74.52 110.888 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 56.94 22.42 41.73 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.747 -0.74 . . . . 72.34 112.525 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 1.652 ' SG ' ' HB3' ' A' ' 4' ' ' DBB . 2.7 t -55.51 135.65 50.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.783 0.325 . . . . 62.21 110.876 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.506 ' HB1' ' CB ' ' A' ' 13' ' ' ALA . . . -63.09 167.14 5.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 51.34 111.091 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.8 mmtt -120.36 149.08 42.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.369 0.604 . . . . 75.51 110.931 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' DBB . . . . . 1.788 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 1.403 ' SG ' ' CB ' ' A' ' 18' ' ' ALA . 22.5 t -58.78 -19.33 39.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 118.527 0.603 . . . . 53.4 110.878 -177.445 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.506 ' CB ' ' HB1' ' A' ' 9' ' ' ALA . . . -63.83 -34.32 77.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 54.25 111.124 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 1.625 ' HB1' ' SG ' ' A' ' 2' ' ' CYS . . . 175.73 165.7 0.36 Allowed 'General case' 0 CA--C 1.594 2.641 0 N-CA-C 107.572 -1.27 . . . . 63.22 107.572 179.794 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.407 ' CB ' ' O ' ' A' ' 14' ' ' ALA . 0.3 OUTLIER 77.32 -50.58 0.54 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 44.11 110.849 -178.793 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 1.788 ' SG ' ' HB3' ' A' ' 11' ' ' DBB . 34.8 m -92.77 170.65 9.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 72.14 110.889 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.435 ' O ' ' HB3' ' A' ' 18' ' ' ALA . . . -89.49 -10.93 44.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 63.11 111.154 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 1.403 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . . . 73.8 -67.94 0.24 Allowed 'General case' 0 CA--C 1.593 2.634 0 N-CA-C 107.533 -1.284 . . . . 64.12 107.533 179.788 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.1 m . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 65.14 110.876 -178.785 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.854 0.359 . . . . 71.14 111.105 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 1.381 ' SG ' ' CB ' ' A' ' 14' ' ' ALA . 0.1 OUTLIER -70.52 135.52 48.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 71.33 110.878 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -70.19 -8.96 62.91 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.758 -0.734 . . . . 71.55 112.502 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' DBB . . . . . 1.638 ' HB3' ' SG ' ' A' ' 8' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -160.29 -117.04 0.44 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.76 -0.734 . . . . 52.45 112.521 -177.389 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -66.01 89.43 0.12 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.83 0.347 . . . . 73.43 110.844 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 121.69 -14.47 9.19 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.745 -0.74 . . . . 51.24 112.473 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 1.638 ' SG ' ' HB3' ' A' ' 4' ' ' DBB . 33.9 t -73.79 141.41 46.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.841 0.353 . . . . 74.32 110.856 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -105.97 -170.75 1.78 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 74.34 111.119 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.94 156.77 39.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.398 0.618 . . . . 62.22 110.941 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' DBB . . . . . 1.765 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 1.604 ' SG ' ' HB2' ' A' ' 18' ' ' ALA . 13.4 t -73.0 87.48 1.34 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 118.52 0.6 . . . . 73.23 110.913 -177.463 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -178.94 -34.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 65.13 111.092 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 1.381 ' CB ' ' SG ' ' A' ' 2' ' ' CYS . . . -152.01 -71.32 0.16 Allowed 'General case' 0 CA--C 1.594 2.651 0 N-CA-C 107.535 -1.283 . . . . 54.34 107.535 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 30.3 t -55.52 -69.42 0.14 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 75.03 110.881 -178.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 1.765 ' SG ' ' HB3' ' A' ' 11' ' ' DBB . 4.0 m -86.56 157.03 19.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 73.54 110.89 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.453 ' O ' ' HB3' ' A' ' 18' ' ' ALA . . . -95.99 -8.92 32.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 75.24 111.11 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 1.604 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . . . 74.83 -66.2 0.31 Allowed 'General case' 0 CA--C 1.593 2.624 0 N-CA-C 107.624 -1.251 . . . . 73.23 107.624 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.6 p . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.098 -0.501 . . . . 74.42 110.827 -178.786 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.846 0.355 . . . . 73.44 111.08 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 1.622 ' SG ' ' HB2' ' A' ' 14' ' ' ALA . 7.5 m -73.68 -29.29 62.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 73.03 110.857 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 98.28 -39.0 2.88 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.752 -0.737 . . . . 61.44 112.486 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' DBB . . . . . 1.674 ' HB3' ' SG ' ' A' ' 8' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -168.07 -36.09 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.744 -0.741 . . . . 51.24 112.519 -177.456 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -156.84 100.95 1.93 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.833 0.349 . . . . 74.21 110.871 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.42 46.84 7.78 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.747 -0.74 . . . . 60.11 112.506 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 1.674 ' SG ' ' HB3' ' A' ' 4' ' ' DBB . 7.9 p -114.49 161.82 17.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.827 0.346 . . . . 73.15 110.861 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.485 ' O ' ' HB3' ' A' ' 14' ' ' ALA . . . -92.61 163.77 13.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 63.43 111.049 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.94 162.84 16.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.408 0.623 . . . . 73.52 110.909 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' DBB . . . . . 1.719 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 1.466 ' SG ' ' HB1' ' A' ' 18' ' ' ALA . 35.2 t -64.23 -13.18 47.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 118.506 0.594 . . . . 71.03 110.904 -177.448 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -74.13 -29.14 61.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 31.43 111.104 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 1.622 ' HB2' ' SG ' ' A' ' 2' ' ' CYS . . . 176.89 162.84 0.45 Allowed 'General case' 0 CA--C 1.594 2.635 0 N-CA-C 107.599 -1.26 . . . . 52.24 107.599 179.77 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.42 ' CB ' ' O ' ' A' ' 14' ' ' ALA . 1.2 t 77.42 -58.84 0.48 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 72.32 110.861 -178.775 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 1.719 ' SG ' ' HB3' ' A' ' 11' ' ' DBB . 23.1 m -85.95 156.09 20.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 65.22 110.839 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.458 ' O ' ' HB3' ' A' ' 18' ' ' ALA . . . -72.84 -19.54 61.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 72.03 111.076 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 1.466 ' HB1' ' SG ' ' A' ' 12' ' ' CYS . . . 75.31 -61.8 0.47 Allowed 'General case' 0 CA--C 1.595 2.674 0 N-CA-C 107.551 -1.277 . . . . 63.21 107.551 179.79 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.6 p . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 62.51 110.86 -178.808 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.883 0.373 . . . . 72.44 111.071 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 1.598 ' SG ' ' HB1' ' A' ' 14' ' ' ALA . 8.3 t 67.67 9.64 7.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 45.04 110.897 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 77.06 -50.17 3.01 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.737 -0.744 . . . . 34.43 112.506 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' DBB . . . . . 1.658 ' HB3' ' SG ' ' A' ' 8' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -120.37 -112.24 2.32 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.763 -0.732 . . . . 62.03 112.52 -177.458 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -90.23 137.46 32.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.855 0.36 . . . . 72.34 110.876 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 55.45 46.53 80.38 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.696 -0.764 . . . . 74.12 112.538 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 1.658 ' SG ' ' HB3' ' A' ' 4' ' ' DBB . 0.0 OUTLIER -95.71 162.55 13.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.787 0.327 . . . . 52.04 110.913 -179.892 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -101.03 -169.03 1.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 72.11 111.139 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.5 ptpp? -148.23 163.13 37.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.439 0.638 . . . . 65.14 110.876 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' DBB . . . . . 1.642 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 1.383 ' SG ' ' CB ' ' A' ' 18' ' ' ALA . 46.2 t -71.83 74.38 0.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 118.529 0.604 . . . . 44.41 110.88 -177.462 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -158.29 -38.07 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 74.43 111.122 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 1.598 ' HB1' ' SG ' ' A' ' 2' ' ' CYS . . . -164.8 -67.19 0.04 OUTLIER 'General case' 0 CA--C 1.593 2.622 0 N-CA-C 107.617 -1.253 . . . . 65.32 107.617 179.79 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 60.2 m -45.71 -48.39 15.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 63.02 110.875 -178.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 1.642 ' SG ' ' HB3' ' A' ' 11' ' ' DBB . 21.7 m -107.7 141.95 38.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.102 -0.499 . . . . 72.11 110.863 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.459 ' O ' ' HB3' ' A' ' 18' ' ' ALA . . . -61.2 -17.49 53.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 44.44 111.052 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 1.383 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . . . 76.01 -63.39 0.4 Allowed 'General case' 0 CA--C 1.594 2.639 0 N-CA-C 107.593 -1.262 . . . . 71.5 107.593 179.775 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.0 t . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 73.44 110.877 -178.865 . . . . . . . . 0 0 . 1 stop_ save_