data_2jn5_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2jn5 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.408 ' HB3' ' HZ2' ' A' ' 12' ' ' LYS . 16.1 mmt . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.951 0.405 . . . . 0.0 110.771 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.544 ' H ' ' HZ2' ' A' ' 12' ' ' LYS . 12.8 m-20 -151.3 81.11 1.31 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.539 179.625 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.5 p -152.78 -17.58 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.629 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -64.15 -58.61 6.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.186 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 25.9 mmt -78.72 146.86 33.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.655 179.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.473 ' HA ' ' HZ3' ' A' ' 10' ' ' LYS . 32.2 mmmt -80.23 2.94 22.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.431 -179.616 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.68 94.39 0.12 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.538 -0.839 . . . . 0.0 112.435 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.5 HD11 ' HA ' ' A' ' 2' ' ' ASP . 2.3 pt? -153.89 -41.45 0.09 Allowed 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 121.251 -0.18 . . . . 0.0 111.268 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.445 ' H ' HD22 ' A' ' 8' ' ' LEU . 47.7 t -172.64 -35.23 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 111.765 0.283 . . . . 0.0 111.765 -179.694 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.473 ' HZ3' ' HA ' ' A' ' 6' ' ' LYS . 28.1 mmtp 48.81 78.69 0.08 Allowed 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.858 0.361 . . . . 0.0 111.337 -179.343 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -103.23 -7.49 21.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.09 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.544 ' HZ2' ' H ' ' A' ' 2' ' ' ASP . 0.6 OUTLIER . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.833 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.2 ptm . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.745 0.307 . . . . 0.0 111.13 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.484 ' H ' ' NZ ' ' A' ' 12' ' ' LYS . 9.2 m-20 -145.49 103.92 3.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.941 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.5 p -159.29 -22.25 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.748 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -57.7 -58.4 8.52 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.188 179.729 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.416 ' HB2' HD12 ' A' ' 8' ' ' LEU . 23.9 mmt -74.71 143.13 44.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.577 179.778 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -72.77 -12.99 61.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.195 -179.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.69 98.99 0.19 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.541 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.503 HD22 ' H ' ' A' ' 9' ' ' SER . 2.1 pt? -157.87 -34.79 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.676 0.274 . . . . 0.0 110.934 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.503 ' H ' HD22 ' A' ' 8' ' ' LEU . 45.5 t -172.82 -40.64 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.188 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.406 ' HA ' ' HD3' ' A' ' 10' ' ' LYS . 38.4 mmtt 52.48 78.01 0.14 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.188 -179.771 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -105.72 -30.49 9.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.784 179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.484 ' NZ ' ' H ' ' A' ' 2' ' ' ASP . 0.6 OUTLIER . . . . . 0 C--O 1.248 0.994 0 CA-C-O 118.205 -0.902 . . . . 0.0 110.934 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 mtt . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.906 0.384 . . . . 0.0 110.76 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.503 ' H ' ' HZ3' ' A' ' 12' ' ' LYS . 2.0 p-10 -149.32 88.24 1.57 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.576 179.564 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 1.9 p -152.35 -19.57 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.824 -179.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -55.83 -63.05 1.3 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.532 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 22.4 mmt -67.16 150.85 48.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.865 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -79.42 -5.94 55.77 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.252 -179.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.83 100.67 0.2 Allowed Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.426 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.459 HD22 ' H ' ' A' ' 9' ' ' SER . 1.9 pt? -160.52 -38.08 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.582 0.229 . . . . 0.0 111.373 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.459 ' H ' HD22 ' A' ' 8' ' ' LEU . 47.4 t -172.72 -45.21 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.249 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 35.0 mmtt 53.92 67.25 1.04 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.94 0.4 . . . . 0.0 111.07 -179.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -101.96 -19.55 15.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.032 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.503 ' HZ3' ' H ' ' A' ' 2' ' ' ASP . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.868 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.423 ' HB3' ' HZ3' ' A' ' 12' ' ' LYS . 13.6 mmt . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.715 0.293 . . . . 0.0 110.646 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.434 ' H ' ' NZ ' ' A' ' 12' ' ' LYS . 11.6 m-20 -149.98 89.61 1.61 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.053 179.768 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.6 p -157.75 -18.3 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.572 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.35 -68.78 0.34 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.337 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.414 ' HB2' HD12 ' A' ' 8' ' ' LEU . 88.7 mmm -64.94 140.18 58.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.632 179.644 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -68.89 -13.33 62.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.202 -179.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.72 100.6 0.2 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.585 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.561 HD22 ' H ' ' A' ' 9' ' ' SER . 2.2 pt? -155.64 -39.49 0.08 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.678 0.275 . . . . 0.0 110.892 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.561 ' H ' HD22 ' A' ' 8' ' ' LEU . 75.3 m -165.94 -43.47 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.698 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.427 ' HA ' ' HE2' ' A' ' 10' ' ' LYS . 10.7 mmmm 52.66 82.08 0.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.271 -179.802 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -105.55 -32.57 8.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.966 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.434 ' NZ ' ' H ' ' A' ' 2' ' ' ASP . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.3 -0.857 . . . . 0.0 110.857 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.3 mtm . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.945 0.403 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.45 ' H ' ' NZ ' ' A' ' 12' ' ' LYS . 12.5 m-20 -149.08 84.67 1.45 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.744 179.644 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.4 p -151.39 -18.71 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.685 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.63 -57.86 11.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.185 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.421 ' HB2' HD21 ' A' ' 8' ' ' LEU . 14.0 mmt -84.05 152.75 24.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.711 179.686 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.9 tppp? -83.64 -13.85 53.25 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.072 -179.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.6 93.6 0.16 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.612 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.509 ' N ' HD23 ' A' ' 8' ' ' LEU . 2.7 pt? -154.56 -43.25 0.09 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.696 0.284 . . . . 0.0 110.849 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.435 ' N ' ' HG ' ' A' ' 8' ' ' LEU . 72.4 m -163.61 -39.46 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.031 -179.632 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.422 ' HA ' ' HE3' ' A' ' 10' ' ' LYS . 22.1 mmmt 52.64 79.85 0.11 Allowed 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.226 -179.757 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -105.55 -31.85 8.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.915 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.45 ' NZ ' ' H ' ' A' ' 2' ' ' ASP . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.116 0 CA-C-O 118.21 -0.9 . . . . 0.0 110.96 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.416 ' HB3' ' HZ1' ' A' ' 12' ' ' LYS . 58.9 mmm . . . . . 0 N--CA 1.488 1.429 0 CA-C-O 120.827 0.346 . . . . 0.0 110.772 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.456 ' H ' ' NZ ' ' A' ' 12' ' ' LYS . 18.6 m-20 -150.7 73.53 1.13 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.668 179.726 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 1.6 p -140.42 -19.45 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.405 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -65.23 -63.94 0.98 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.264 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 25.8 mmt -79.96 143.87 33.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.622 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -79.73 -8.24 59.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.201 -179.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.86 88.92 0.14 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.802 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.553 HD22 ' H ' ' A' ' 9' ' ' SER . 2.4 pt? -148.32 -44.29 0.16 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.637 0.256 . . . . 0.0 110.86 179.752 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.553 ' H ' HD22 ' A' ' 8' ' ' LEU . 65.0 m -164.9 -35.57 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.797 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.431 ' HA ' ' HE3' ' A' ' 10' ' ' LYS . 21.8 mmmt 51.41 83.24 0.05 Allowed 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.431 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -105.7 -22.98 12.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.92 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.456 ' NZ ' ' H ' ' A' ' 2' ' ' ASP . 0.6 OUTLIER . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.254 -0.879 . . . . 0.0 110.909 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 ptp . . . . . 0 N--CA 1.484 1.236 0 CA-C-O 120.824 0.345 . . . . 0.0 111.111 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -146.71 99.39 3.19 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.766 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.4 p -159.16 -20.49 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.769 -179.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -55.43 -66.19 0.46 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.63 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.442 ' HB2' HD21 ' A' ' 8' ' ' LEU . 18.6 mmt -65.85 140.5 58.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.772 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 17.4 tppt? -71.38 -8.76 55.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.901 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.47 97.65 0.17 Allowed Glycine 0 CA--C 1.517 0.217 0 C-N-CA 120.577 -0.821 . . . . 0.0 112.61 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.496 ' N ' HD23 ' A' ' 8' ' ' LEU . 2.6 pt? -156.6 -41.64 0.07 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.625 0.25 . . . . 0.0 111.046 179.752 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.7 m -160.89 -41.59 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.005 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 41.3 mmtt 51.89 74.95 0.23 Allowed 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.223 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -105.6 -30.11 9.71 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.835 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.277 -0.868 . . . . 0.0 110.95 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.525 ' HB3' ' HZ2' ' A' ' 12' ' ' LYS . 1.0 OUTLIER . . . . . 0 N--CA 1.485 1.279 0 CA-C-O 120.737 0.303 . . . . 0.0 110.62 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.402 ' HA ' HD11 ' A' ' 8' ' ' LEU . 10.8 m-20 -150.97 87.96 1.44 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.006 179.674 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.1 p -157.39 -20.11 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.432 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -63.13 -60.49 3.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.104 179.747 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 93.8 mmm -76.43 149.3 36.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.657 179.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -87.09 -12.36 47.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.111 -179.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.88 83.47 0.23 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.617 -0.801 . . . . 0.0 112.59 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.479 HD22 ' H ' ' A' ' 9' ' ' SER . 2.5 pt? -145.22 -42.1 0.23 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.491 0.186 . . . . 0.0 111.026 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.479 ' H ' HD22 ' A' ' 8' ' ' LEU . 77.8 p -178.35 -34.24 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.234 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.424 ' HA ' ' HE2' ' A' ' 10' ' ' LYS . 10.5 mmmm 53.88 88.09 0.04 OUTLIER 'General case' 0 C--O 1.231 0.126 0 CA-C-O 120.821 0.343 . . . . 0.0 111.022 -179.79 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -105.41 -32.06 8.74 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.086 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.525 ' HZ2' ' HB3' ' A' ' 1' ' ' MET . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.254 -0.879 . . . . 0.0 110.915 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.1 mtt . . . . . 0 N--CA 1.485 1.322 0 CA-C-O 120.968 0.413 . . . . 0.0 111.058 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.417 ' H ' ' NZ ' ' A' ' 12' ' ' LYS . 10.8 m-20 -150.66 83.63 1.35 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.657 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.4 p -151.39 -20.66 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.447 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -66.93 -67.49 0.45 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.201 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.7 ' HG3' ' H ' ' A' ' 7' ' ' GLY . 13.5 tpt -67.16 141.23 57.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.281 179.616 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -72.79 -11.9 60.79 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.994 -178.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.7 ' H ' ' HG3' ' A' ' 5' ' ' MET . . . -151.62 103.98 0.25 Allowed Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.451 -0.881 . . . . 0.0 112.723 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.501 HD22 ' H ' ' A' ' 9' ' ' SER . 2.1 pt? -161.58 -47.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.514 0.197 . . . . 0.0 111.182 179.706 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.501 ' H ' HD22 ' A' ' 8' ' ' LEU . 73.4 m -164.65 -40.04 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.957 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.435 ' HA ' ' HE3' ' A' ' 10' ' ' LYS . 22.4 mmmt 53.11 83.5 0.06 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.3 -179.795 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -105.32 -26.89 11.81 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.127 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.417 ' NZ ' ' H ' ' A' ' 2' ' ' ASP . 0.6 OUTLIER . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.174 -0.917 . . . . 0.0 110.932 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.457 ' HA ' ' HZ2' ' A' ' 12' ' ' LYS . 48.3 mtt . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.846 0.355 . . . . 0.0 110.8 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.554 ' HA ' HD11 ' A' ' 8' ' ' LEU . 9.4 m-20 57.93 69.88 0.7 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.727 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 1.9 p -148.6 -17.19 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.906 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -57.79 -60.02 4.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.102 179.654 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.464 ' HB2' HD12 ' A' ' 8' ' ' LEU . 68.6 mmm -65.65 146.01 55.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.588 179.418 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -72.92 -3.81 28.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.283 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.2 99.36 0.17 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.796 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.554 HD11 ' HA ' ' A' ' 2' ' ' ASP . 2.1 pt? -159.42 -35.33 0.06 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.661 0.267 . . . . 0.0 110.873 179.754 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.542 ' H ' HD22 ' A' ' 8' ' ' LEU . 69.8 m -161.0 -48.37 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.796 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.402 ' HA ' ' HE3' ' A' ' 10' ' ' LYS . 22.5 mmmt 52.04 69.74 0.64 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.192 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -104.94 -22.24 13.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.93 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.457 ' HZ2' ' HA ' ' A' ' 1' ' ' MET . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.255 -0.879 . . . . 0.0 110.824 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.408 ' HB3' ' HZ2' ' A' ' 12' ' ' LYS . 16.1 mmt . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.951 0.405 . . . . 0.0 110.771 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.544 ' H ' ' HZ2' ' A' ' 12' ' ' LYS . 12.8 m-20 -151.3 81.11 1.31 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.539 179.625 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.5 p -152.78 -17.58 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.629 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -64.15 -58.61 6.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.186 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 25.9 mmt -78.72 146.86 33.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.655 179.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.473 ' HA ' ' HZ3' ' A' ' 10' ' ' LYS . 32.2 mmmt -80.23 2.94 22.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.431 -179.616 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.68 94.39 0.12 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.538 -0.839 . . . . 0.0 112.435 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.5 HD11 ' HA ' ' A' ' 2' ' ' ASP . 2.3 pt? -153.89 -41.45 0.09 Allowed 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 121.251 -0.18 . . . . 0.0 111.268 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.445 ' H ' HD22 ' A' ' 8' ' ' LEU . 47.7 t -172.64 -35.23 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 111.765 0.283 . . . . 0.0 111.765 -179.694 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.473 ' HZ3' ' HA ' ' A' ' 6' ' ' LYS . 28.1 mmtp 48.81 78.69 0.08 Allowed 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.858 0.361 . . . . 0.0 111.337 -179.343 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -103.23 -7.49 21.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.09 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.544 ' HZ2' ' H ' ' A' ' 2' ' ' ASP . 0.6 OUTLIER . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.833 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.2 ptm . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.745 0.307 . . . . 0.0 111.13 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.484 ' H ' ' NZ ' ' A' ' 12' ' ' LYS . 9.2 m-20 -145.49 103.92 3.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.941 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.5 p -159.29 -22.25 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.748 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -57.7 -58.4 8.52 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.188 179.729 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.416 ' HB2' HD12 ' A' ' 8' ' ' LEU . 23.9 mmt -74.71 143.13 44.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.577 179.778 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -72.77 -12.99 61.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.195 -179.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.69 98.99 0.19 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.541 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.503 HD22 ' H ' ' A' ' 9' ' ' SER . 2.1 pt? -157.87 -34.79 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.676 0.274 . . . . 0.0 110.934 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.503 ' H ' HD22 ' A' ' 8' ' ' LEU . 45.5 t -172.82 -40.64 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.188 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.406 ' HA ' ' HD3' ' A' ' 10' ' ' LYS . 38.4 mmtt 52.48 78.01 0.14 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.188 -179.771 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -105.72 -30.49 9.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.784 179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.484 ' NZ ' ' H ' ' A' ' 2' ' ' ASP . 0.6 OUTLIER . . . . . 0 C--O 1.248 0.994 0 CA-C-O 118.205 -0.902 . . . . 0.0 110.934 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 mtt . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.906 0.384 . . . . 0.0 110.76 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.503 ' H ' ' HZ3' ' A' ' 12' ' ' LYS . 2.0 p-10 -149.32 88.24 1.57 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.576 179.564 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 1.9 p -152.35 -19.57 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.824 -179.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -55.83 -63.05 1.3 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.532 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 22.4 mmt -67.16 150.85 48.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.865 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -79.42 -5.94 55.77 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.252 -179.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.83 100.67 0.2 Allowed Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.426 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.459 HD22 ' H ' ' A' ' 9' ' ' SER . 1.9 pt? -160.52 -38.08 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.582 0.229 . . . . 0.0 111.373 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.459 ' H ' HD22 ' A' ' 8' ' ' LEU . 47.4 t -172.72 -45.21 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.249 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 35.0 mmtt 53.92 67.25 1.04 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.94 0.4 . . . . 0.0 111.07 -179.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -101.96 -19.55 15.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.032 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.503 ' HZ3' ' H ' ' A' ' 2' ' ' ASP . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.868 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.423 ' HB3' ' HZ3' ' A' ' 12' ' ' LYS . 13.6 mmt . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.715 0.293 . . . . 0.0 110.646 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.434 ' H ' ' NZ ' ' A' ' 12' ' ' LYS . 11.6 m-20 -149.98 89.61 1.61 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.053 179.768 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.6 p -157.75 -18.3 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.572 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.35 -68.78 0.34 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.337 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.414 ' HB2' HD12 ' A' ' 8' ' ' LEU . 88.7 mmm -64.94 140.18 58.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.632 179.644 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -68.89 -13.33 62.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.202 -179.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.72 100.6 0.2 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.585 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.561 HD22 ' H ' ' A' ' 9' ' ' SER . 2.2 pt? -155.64 -39.49 0.08 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.678 0.275 . . . . 0.0 110.892 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.561 ' H ' HD22 ' A' ' 8' ' ' LEU . 75.3 m -165.94 -43.47 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.698 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.427 ' HA ' ' HE2' ' A' ' 10' ' ' LYS . 10.7 mmmm 52.66 82.08 0.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.271 -179.802 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -105.55 -32.57 8.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.966 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.434 ' NZ ' ' H ' ' A' ' 2' ' ' ASP . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.3 -0.857 . . . . 0.0 110.857 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.3 mtm . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.945 0.403 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.45 ' H ' ' NZ ' ' A' ' 12' ' ' LYS . 12.5 m-20 -149.08 84.67 1.45 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.744 179.644 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.4 p -151.39 -18.71 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.685 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.63 -57.86 11.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.185 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.421 ' HB2' HD21 ' A' ' 8' ' ' LEU . 14.0 mmt -84.05 152.75 24.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.711 179.686 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.9 tppp? -83.64 -13.85 53.25 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.072 -179.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.6 93.6 0.16 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.612 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.509 ' N ' HD23 ' A' ' 8' ' ' LEU . 2.7 pt? -154.56 -43.25 0.09 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.696 0.284 . . . . 0.0 110.849 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.435 ' N ' ' HG ' ' A' ' 8' ' ' LEU . 72.4 m -163.61 -39.46 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.031 -179.632 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.422 ' HA ' ' HE3' ' A' ' 10' ' ' LYS . 22.1 mmmt 52.64 79.85 0.11 Allowed 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.226 -179.757 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -105.55 -31.85 8.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.915 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.45 ' NZ ' ' H ' ' A' ' 2' ' ' ASP . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.116 0 CA-C-O 118.21 -0.9 . . . . 0.0 110.96 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.416 ' HB3' ' HZ1' ' A' ' 12' ' ' LYS . 58.9 mmm . . . . . 0 N--CA 1.488 1.429 0 CA-C-O 120.827 0.346 . . . . 0.0 110.772 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.456 ' H ' ' NZ ' ' A' ' 12' ' ' LYS . 18.6 m-20 -150.7 73.53 1.13 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.668 179.726 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 1.6 p -140.42 -19.45 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.405 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -65.23 -63.94 0.98 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.264 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 25.8 mmt -79.96 143.87 33.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.622 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -79.73 -8.24 59.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.201 -179.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.86 88.92 0.14 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.802 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.553 HD22 ' H ' ' A' ' 9' ' ' SER . 2.4 pt? -148.32 -44.29 0.16 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.637 0.256 . . . . 0.0 110.86 179.752 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.553 ' H ' HD22 ' A' ' 8' ' ' LEU . 65.0 m -164.9 -35.57 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.797 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.431 ' HA ' ' HE3' ' A' ' 10' ' ' LYS . 21.8 mmmt 51.41 83.24 0.05 Allowed 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.431 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -105.7 -22.98 12.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.92 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.456 ' NZ ' ' H ' ' A' ' 2' ' ' ASP . 0.6 OUTLIER . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.254 -0.879 . . . . 0.0 110.909 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 ptp . . . . . 0 N--CA 1.484 1.236 0 CA-C-O 120.824 0.345 . . . . 0.0 111.111 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -146.71 99.39 3.19 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.766 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.4 p -159.16 -20.49 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.769 -179.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -55.43 -66.19 0.46 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.63 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.442 ' HB2' HD21 ' A' ' 8' ' ' LEU . 18.6 mmt -65.85 140.5 58.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.772 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 17.4 tppt? -71.38 -8.76 55.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.901 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.47 97.65 0.17 Allowed Glycine 0 CA--C 1.517 0.217 0 C-N-CA 120.577 -0.821 . . . . 0.0 112.61 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.496 ' N ' HD23 ' A' ' 8' ' ' LEU . 2.6 pt? -156.6 -41.64 0.07 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.625 0.25 . . . . 0.0 111.046 179.752 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.7 m -160.89 -41.59 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.005 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 41.3 mmtt 51.89 74.95 0.23 Allowed 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.223 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -105.6 -30.11 9.71 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.835 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.277 -0.868 . . . . 0.0 110.95 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.525 ' HB3' ' HZ2' ' A' ' 12' ' ' LYS . 1.0 OUTLIER . . . . . 0 N--CA 1.485 1.279 0 CA-C-O 120.737 0.303 . . . . 0.0 110.62 . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.402 ' HA ' HD11 ' A' ' 8' ' ' LEU . 10.8 m-20 -150.97 87.96 1.44 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.006 179.674 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.1 p -157.39 -20.11 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.432 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -63.13 -60.49 3.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.104 179.747 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 93.8 mmm -76.43 149.3 36.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.657 179.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -87.09 -12.36 47.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.111 -179.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.88 83.47 0.23 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.617 -0.801 . . . . 0.0 112.59 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.479 HD22 ' H ' ' A' ' 9' ' ' SER . 2.5 pt? -145.22 -42.1 0.23 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.491 0.186 . . . . 0.0 111.026 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.479 ' H ' HD22 ' A' ' 8' ' ' LEU . 77.8 p -178.35 -34.24 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.234 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.424 ' HA ' ' HE2' ' A' ' 10' ' ' LYS . 10.5 mmmm 53.88 88.09 0.04 OUTLIER 'General case' 0 C--O 1.231 0.126 0 CA-C-O 120.821 0.343 . . . . 0.0 111.022 -179.79 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -105.41 -32.06 8.74 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.086 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.525 ' HZ2' ' HB3' ' A' ' 1' ' ' MET . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.254 -0.879 . . . . 0.0 110.915 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.1 mtt . . . . . 0 N--CA 1.485 1.322 0 CA-C-O 120.968 0.413 . . . . 0.0 111.058 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.417 ' H ' ' NZ ' ' A' ' 12' ' ' LYS . 10.8 m-20 -150.66 83.63 1.35 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.657 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.4 p -151.39 -20.66 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.447 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -66.93 -67.49 0.45 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.201 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.7 ' HG3' ' H ' ' A' ' 7' ' ' GLY . 13.5 tpt -67.16 141.23 57.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.281 179.616 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -72.79 -11.9 60.79 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.994 -178.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.7 ' H ' ' HG3' ' A' ' 5' ' ' MET . . . -151.62 103.98 0.25 Allowed Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.451 -0.881 . . . . 0.0 112.723 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.501 HD22 ' H ' ' A' ' 9' ' ' SER . 2.1 pt? -161.58 -47.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.514 0.197 . . . . 0.0 111.182 179.706 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.501 ' H ' HD22 ' A' ' 8' ' ' LEU . 73.4 m -164.65 -40.04 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.957 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.435 ' HA ' ' HE3' ' A' ' 10' ' ' LYS . 22.4 mmmt 53.11 83.5 0.06 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.3 -179.795 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -105.32 -26.89 11.81 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.127 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.417 ' NZ ' ' H ' ' A' ' 2' ' ' ASP . 0.6 OUTLIER . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.174 -0.917 . . . . 0.0 110.932 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.457 ' HA ' ' HZ2' ' A' ' 12' ' ' LYS . 48.3 mtt . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.846 0.355 . . . . 0.0 110.8 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.554 ' HA ' HD11 ' A' ' 8' ' ' LEU . 9.4 m-20 57.93 69.88 0.7 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.727 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 1.9 p -148.6 -17.19 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.906 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -57.79 -60.02 4.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.102 179.654 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.464 ' HB2' HD12 ' A' ' 8' ' ' LEU . 68.6 mmm -65.65 146.01 55.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.588 179.418 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -72.92 -3.81 28.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.283 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.2 99.36 0.17 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.796 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.554 HD11 ' HA ' ' A' ' 2' ' ' ASP . 2.1 pt? -159.42 -35.33 0.06 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.661 0.267 . . . . 0.0 110.873 179.754 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.542 ' H ' HD22 ' A' ' 8' ' ' LEU . 69.8 m -161.0 -48.37 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.796 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.402 ' HA ' ' HE3' ' A' ' 10' ' ' LYS . 22.5 mmmt 52.04 69.74 0.64 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.192 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -104.94 -22.24 13.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.93 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.457 ' HZ2' ' HA ' ' A' ' 1' ' ' MET . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.255 -0.879 . . . . 0.0 110.824 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.1 mmt . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.951 0.405 . . . . 0.0 110.771 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.53 ' HA ' HD11 ' A' ' 8' ' ' LEU . 12.8 m-20 -151.3 81.11 1.31 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.539 179.625 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.5 p -152.78 -17.58 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.629 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -64.15 -58.61 6.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.186 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 25.9 mmt -78.72 146.86 33.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.655 179.627 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -80.23 2.94 22.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.431 -179.616 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.68 94.39 0.12 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.538 -0.839 . . . . 0.0 112.435 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.53 HD11 ' HA ' ' A' ' 2' ' ' ASP . 2.3 pt? -153.89 -41.45 0.09 Allowed 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 121.251 -0.18 . . . . 0.0 111.268 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.403 ' H ' HD23 ' A' ' 8' ' ' LEU . 47.7 t -172.64 -35.23 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 111.765 0.283 . . . . 0.0 111.765 -179.694 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.4 ' HD3' ' HA ' ' A' ' 10' ' ' LYS . 28.1 mmtp 48.81 78.69 0.08 Allowed 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.858 0.361 . . . . 0.0 111.337 -179.343 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -103.23 -7.49 21.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.09 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.493 ' NZ ' ' H ' ' A' ' 2' ' ' ASP . 0.6 OUTLIER . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.833 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.2 ptm . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.745 0.307 . . . . 0.0 111.13 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.499 ' H ' ' NZ ' ' A' ' 12' ' ' LYS . 9.2 m-20 -145.49 103.92 3.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.941 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.5 p -159.29 -22.25 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.748 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -57.7 -58.4 8.52 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.188 179.729 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.418 ' HB2' HD13 ' A' ' 8' ' ' LEU . 23.9 mmt -74.71 143.13 44.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.577 179.778 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -72.77 -12.99 61.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.195 -179.699 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.69 98.99 0.19 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.541 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.491 HD23 ' H ' ' A' ' 9' ' ' SER . 2.1 pt? -157.87 -34.79 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.676 0.274 . . . . 0.0 110.934 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.491 ' H ' HD23 ' A' ' 8' ' ' LEU . 45.5 t -172.82 -40.64 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.188 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 38.4 mmtt 52.48 78.01 0.14 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.188 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -105.72 -30.49 9.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.784 179.795 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.499 ' NZ ' ' H ' ' A' ' 2' ' ' ASP . 0.6 OUTLIER . . . . . 0 C--O 1.248 0.994 0 CA-C-O 118.205 -0.902 . . . . 0.0 110.934 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 mtt . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.906 0.384 . . . . 0.0 110.76 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -149.32 88.24 1.57 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.576 179.564 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 1.9 p -152.35 -19.57 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.824 -179.374 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -55.83 -63.05 1.3 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.532 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 22.4 mmt -67.16 150.85 48.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.865 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -79.42 -5.94 55.77 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.252 -179.653 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.83 100.67 0.2 Allowed Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.426 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.483 ' N ' HD23 ' A' ' 8' ' ' LEU . 1.9 pt? -160.52 -38.08 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.582 0.229 . . . . 0.0 111.373 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.42 ' H ' HD23 ' A' ' 8' ' ' LEU . 47.4 t -172.72 -45.21 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.249 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 35.0 mmtt 53.92 67.25 1.04 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.94 0.4 . . . . 0.0 111.07 -179.559 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -101.96 -19.55 15.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.032 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.868 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.407 ' HB3' ' HZ3' ' A' ' 12' ' ' LYS . 13.6 mmt . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.715 0.293 . . . . 0.0 110.646 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.455 ' H ' ' NZ ' ' A' ' 12' ' ' LYS . 11.6 m-20 -149.98 89.61 1.61 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.053 179.768 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.4 ' H ' ' H ' ' A' ' 4' ' ' PHE . 2.6 p -157.75 -18.3 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.572 -179.789 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.4 ' H ' ' H ' ' A' ' 3' ' ' VAL . 0.1 OUTLIER -65.35 -68.78 0.34 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.337 179.913 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.411 ' HB2' HD13 ' A' ' 8' ' ' LEU . 88.7 mmm -64.94 140.18 58.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.632 179.644 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -68.89 -13.33 62.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.202 -179.612 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.72 100.6 0.2 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.585 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.543 HD23 ' H ' ' A' ' 9' ' ' SER . 2.2 pt? -155.64 -39.49 0.08 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.678 0.275 . . . . 0.0 110.892 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.543 ' H ' HD23 ' A' ' 8' ' ' LEU . 75.3 m -165.94 -43.47 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.698 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.42 ' HA ' ' HE2' ' A' ' 10' ' ' LYS . 10.7 mmmm 52.66 82.08 0.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.271 -179.802 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -105.55 -32.57 8.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.966 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.455 ' NZ ' ' H ' ' A' ' 2' ' ' ASP . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.3 -0.857 . . . . 0.0 110.857 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.3 mtm . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.945 0.403 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.463 ' H ' ' NZ ' ' A' ' 12' ' ' LYS . 12.5 m-20 -149.08 84.67 1.45 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.744 179.644 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.4 p -151.39 -18.71 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.685 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.63 -57.86 11.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.185 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.424 ' HB2' HD22 ' A' ' 8' ' ' LEU . 14.0 mmt -84.05 152.75 24.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.711 179.686 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.9 tppp? -83.64 -13.85 53.25 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.072 -179.622 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.6 93.6 0.16 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.612 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.451 ' HG ' ' N ' ' A' ' 9' ' ' SER . 2.7 pt? -154.56 -43.25 0.09 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.696 0.284 . . . . 0.0 110.849 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.451 ' N ' ' HG ' ' A' ' 8' ' ' LEU . 72.4 m -163.61 -39.46 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.031 -179.632 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.408 ' HA ' ' HE3' ' A' ' 10' ' ' LYS . 22.1 mmmt 52.64 79.85 0.11 Allowed 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.226 -179.757 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -105.55 -31.85 8.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.915 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.463 ' NZ ' ' H ' ' A' ' 2' ' ' ASP . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.116 0 CA-C-O 118.21 -0.9 . . . . 0.0 110.96 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.9 mmm . . . . . 0 N--CA 1.488 1.429 0 CA-C-O 120.827 0.346 . . . . 0.0 110.772 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.464 ' H ' ' NZ ' ' A' ' 12' ' ' LYS . 18.6 m-20 -150.7 73.53 1.13 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.668 179.726 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 1.6 p -140.42 -19.45 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.405 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -65.23 -63.94 0.98 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.264 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 25.8 mmt -79.96 143.87 33.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.622 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -79.73 -8.24 59.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.201 -179.589 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.86 88.92 0.14 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.802 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.528 HD23 ' H ' ' A' ' 9' ' ' SER . 2.4 pt? -148.32 -44.29 0.16 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.637 0.256 . . . . 0.0 110.86 179.752 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.528 ' H ' HD23 ' A' ' 8' ' ' LEU . 65.0 m -164.9 -35.57 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.797 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.415 ' HA ' ' HE3' ' A' ' 10' ' ' LYS . 21.8 mmmt 51.41 83.24 0.05 Allowed 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.431 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -105.7 -22.98 12.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.92 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.464 ' NZ ' ' H ' ' A' ' 2' ' ' ASP . 0.6 OUTLIER . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.254 -0.879 . . . . 0.0 110.909 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 ptp . . . . . 0 N--CA 1.484 1.236 0 CA-C-O 120.824 0.345 . . . . 0.0 111.111 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -146.71 99.39 3.19 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.766 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.4 p -159.16 -20.49 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.769 -179.714 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -55.43 -66.19 0.46 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.63 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.502 ' HB2' HD22 ' A' ' 8' ' ' LEU . 18.6 mmt -65.85 140.5 58.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.772 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 17.4 tppt? -71.38 -8.76 55.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.901 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.47 97.65 0.17 Allowed Glycine 0 CA--C 1.517 0.217 0 C-N-CA 120.577 -0.821 . . . . 0.0 112.61 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.502 HD22 ' HB2' ' A' ' 5' ' ' MET . 2.6 pt? -156.6 -41.64 0.07 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.625 0.25 . . . . 0.0 111.046 179.752 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.414 ' H ' HD23 ' A' ' 8' ' ' LEU . 68.7 m -160.89 -41.59 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.005 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 41.3 mmtt 51.89 74.95 0.23 Allowed 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.223 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -105.6 -30.11 9.71 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.835 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.277 -0.868 . . . . 0.0 110.95 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.457 ' SD ' ' N ' ' A' ' 1' ' ' MET . 1.0 OUTLIER . . . . . 0 N--CA 1.485 1.279 0 CA-C-O 120.737 0.303 . . . . 0.0 110.62 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.489 ' H ' ' HZ2' ' A' ' 12' ' ' LYS . 10.8 m-20 -150.97 87.96 1.44 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.006 179.674 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.1 p -157.39 -20.11 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.432 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -63.13 -60.49 3.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.104 179.747 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 93.8 mmm -76.43 149.3 36.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.657 179.727 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -87.09 -12.36 47.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.111 -179.666 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.88 83.47 0.23 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.617 -0.801 . . . . 0.0 112.59 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.447 HD23 ' H ' ' A' ' 8' ' ' LEU . 2.5 pt? -145.22 -42.1 0.23 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.491 0.186 . . . . 0.0 111.026 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.444 ' H ' HD23 ' A' ' 8' ' ' LEU . 77.8 p -178.35 -34.24 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.234 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.42 ' HA ' ' HE2' ' A' ' 10' ' ' LYS . 10.5 mmmm 53.88 88.09 0.04 OUTLIER 'General case' 0 C--O 1.231 0.126 0 CA-C-O 120.821 0.343 . . . . 0.0 111.022 -179.79 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -105.41 -32.06 8.74 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.086 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.489 ' HZ2' ' H ' ' A' ' 2' ' ' ASP . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.254 -0.879 . . . . 0.0 110.915 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.1 mtt . . . . . 0 N--CA 1.485 1.322 0 CA-C-O 120.968 0.413 . . . . 0.0 111.058 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.425 ' H ' ' NZ ' ' A' ' 12' ' ' LYS . 10.8 m-20 -150.66 83.63 1.35 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.657 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.4 p -151.39 -20.66 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.447 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -66.93 -67.49 0.45 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.201 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.762 ' HG3' ' H ' ' A' ' 7' ' ' GLY . 13.5 tpt -67.16 141.23 57.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.281 179.616 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -72.79 -11.9 60.79 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.994 -178.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.762 ' H ' ' HG3' ' A' ' 5' ' ' MET . . . -151.62 103.98 0.25 Allowed Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.451 -0.881 . . . . 0.0 112.723 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.467 ' N ' HD23 ' A' ' 8' ' ' LEU . 2.1 pt? -161.58 -47.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.514 0.197 . . . . 0.0 111.182 179.706 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.432 ' H ' HD23 ' A' ' 8' ' ' LEU . 73.4 m -164.65 -40.04 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.957 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.422 ' HA ' ' HE3' ' A' ' 10' ' ' LYS . 22.4 mmmt 53.11 83.5 0.06 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.3 -179.795 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -105.32 -26.89 11.81 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.127 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.425 ' NZ ' ' H ' ' A' ' 2' ' ' ASP . 0.6 OUTLIER . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.174 -0.917 . . . . 0.0 110.932 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.3 mtt . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.846 0.355 . . . . 0.0 110.8 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.528 ' HA ' HD11 ' A' ' 8' ' ' LEU . 9.4 m-20 57.93 69.88 0.7 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.727 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 1.9 p -148.6 -17.19 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.906 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -57.79 -60.02 4.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.102 179.654 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.454 ' HB2' HD13 ' A' ' 8' ' ' LEU . 68.6 mmm -65.65 146.01 55.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.588 179.418 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -72.92 -3.81 28.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.283 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.2 99.36 0.17 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.796 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.528 HD11 ' HA ' ' A' ' 2' ' ' ASP . 2.1 pt? -159.42 -35.33 0.06 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.661 0.267 . . . . 0.0 110.873 179.754 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.515 ' H ' HD23 ' A' ' 8' ' ' LEU . 69.8 m -161.0 -48.37 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.796 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.5 mmmt 52.04 69.74 0.64 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.192 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -104.94 -22.24 13.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.93 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.255 -0.879 . . . . 0.0 110.824 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.1 mmt . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.951 0.405 . . . . 0.0 110.771 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.53 ' HA ' HD11 ' A' ' 8' ' ' LEU . 12.8 m-20 -151.3 81.11 1.31 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.539 179.625 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.5 p -152.78 -17.58 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.629 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -64.15 -58.61 6.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.186 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 25.9 mmt -78.72 146.86 33.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.655 179.627 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -80.23 2.94 22.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.431 -179.616 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.68 94.39 0.12 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.538 -0.839 . . . . 0.0 112.435 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.53 HD11 ' HA ' ' A' ' 2' ' ' ASP . 2.3 pt? -153.89 -41.45 0.09 Allowed 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 121.251 -0.18 . . . . 0.0 111.268 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.403 ' H ' HD23 ' A' ' 8' ' ' LEU . 47.7 t -172.64 -35.23 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 111.765 0.283 . . . . 0.0 111.765 -179.694 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.4 ' HD3' ' HA ' ' A' ' 10' ' ' LYS . 28.1 mmtp 48.81 78.69 0.08 Allowed 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.858 0.361 . . . . 0.0 111.337 -179.343 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -103.23 -7.49 21.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.09 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.493 ' NZ ' ' H ' ' A' ' 2' ' ' ASP . 0.6 OUTLIER . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.833 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.2 ptm . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.745 0.307 . . . . 0.0 111.13 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.499 ' H ' ' NZ ' ' A' ' 12' ' ' LYS . 9.2 m-20 -145.49 103.92 3.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.941 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.5 p -159.29 -22.25 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.748 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -57.7 -58.4 8.52 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.188 179.729 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.418 ' HB2' HD13 ' A' ' 8' ' ' LEU . 23.9 mmt -74.71 143.13 44.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.577 179.778 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -72.77 -12.99 61.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.195 -179.699 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.69 98.99 0.19 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.541 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.491 HD23 ' H ' ' A' ' 9' ' ' SER . 2.1 pt? -157.87 -34.79 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.676 0.274 . . . . 0.0 110.934 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.491 ' H ' HD23 ' A' ' 8' ' ' LEU . 45.5 t -172.82 -40.64 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.188 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 38.4 mmtt 52.48 78.01 0.14 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.188 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -105.72 -30.49 9.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.784 179.795 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.499 ' NZ ' ' H ' ' A' ' 2' ' ' ASP . 0.6 OUTLIER . . . . . 0 C--O 1.248 0.994 0 CA-C-O 118.205 -0.902 . . . . 0.0 110.934 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 mtt . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.906 0.384 . . . . 0.0 110.76 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -149.32 88.24 1.57 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.576 179.564 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 1.9 p -152.35 -19.57 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.824 -179.374 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -55.83 -63.05 1.3 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.532 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 22.4 mmt -67.16 150.85 48.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.865 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -79.42 -5.94 55.77 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.252 -179.653 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.83 100.67 0.2 Allowed Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.426 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.483 ' N ' HD23 ' A' ' 8' ' ' LEU . 1.9 pt? -160.52 -38.08 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.582 0.229 . . . . 0.0 111.373 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.42 ' H ' HD23 ' A' ' 8' ' ' LEU . 47.4 t -172.72 -45.21 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.249 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 35.0 mmtt 53.92 67.25 1.04 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.94 0.4 . . . . 0.0 111.07 -179.559 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -101.96 -19.55 15.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.032 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.868 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.407 ' HB3' ' HZ3' ' A' ' 12' ' ' LYS . 13.6 mmt . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.715 0.293 . . . . 0.0 110.646 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.455 ' H ' ' NZ ' ' A' ' 12' ' ' LYS . 11.6 m-20 -149.98 89.61 1.61 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.053 179.768 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.4 ' H ' ' H ' ' A' ' 4' ' ' PHE . 2.6 p -157.75 -18.3 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.572 -179.789 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.4 ' H ' ' H ' ' A' ' 3' ' ' VAL . 0.1 OUTLIER -65.35 -68.78 0.34 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.337 179.913 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.411 ' HB2' HD13 ' A' ' 8' ' ' LEU . 88.7 mmm -64.94 140.18 58.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.632 179.644 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -68.89 -13.33 62.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.202 -179.612 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.72 100.6 0.2 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.585 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.543 HD23 ' H ' ' A' ' 9' ' ' SER . 2.2 pt? -155.64 -39.49 0.08 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.678 0.275 . . . . 0.0 110.892 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.543 ' H ' HD23 ' A' ' 8' ' ' LEU . 75.3 m -165.94 -43.47 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.698 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.42 ' HA ' ' HE2' ' A' ' 10' ' ' LYS . 10.7 mmmm 52.66 82.08 0.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.271 -179.802 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -105.55 -32.57 8.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.966 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.455 ' NZ ' ' H ' ' A' ' 2' ' ' ASP . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.3 -0.857 . . . . 0.0 110.857 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.3 mtm . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.945 0.403 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.463 ' H ' ' NZ ' ' A' ' 12' ' ' LYS . 12.5 m-20 -149.08 84.67 1.45 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.744 179.644 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.4 p -151.39 -18.71 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.685 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.63 -57.86 11.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.185 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.424 ' HB2' HD22 ' A' ' 8' ' ' LEU . 14.0 mmt -84.05 152.75 24.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.711 179.686 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.9 tppp? -83.64 -13.85 53.25 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.072 -179.622 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.6 93.6 0.16 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.612 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.451 ' HG ' ' N ' ' A' ' 9' ' ' SER . 2.7 pt? -154.56 -43.25 0.09 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.696 0.284 . . . . 0.0 110.849 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.451 ' N ' ' HG ' ' A' ' 8' ' ' LEU . 72.4 m -163.61 -39.46 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.031 -179.632 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.408 ' HA ' ' HE3' ' A' ' 10' ' ' LYS . 22.1 mmmt 52.64 79.85 0.11 Allowed 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.226 -179.757 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -105.55 -31.85 8.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.915 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.463 ' NZ ' ' H ' ' A' ' 2' ' ' ASP . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.116 0 CA-C-O 118.21 -0.9 . . . . 0.0 110.96 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.9 mmm . . . . . 0 N--CA 1.488 1.429 0 CA-C-O 120.827 0.346 . . . . 0.0 110.772 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.464 ' H ' ' NZ ' ' A' ' 12' ' ' LYS . 18.6 m-20 -150.7 73.53 1.13 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.668 179.726 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 1.6 p -140.42 -19.45 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.405 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -65.23 -63.94 0.98 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.264 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 25.8 mmt -79.96 143.87 33.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.622 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -79.73 -8.24 59.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.201 -179.589 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.86 88.92 0.14 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.802 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.528 HD23 ' H ' ' A' ' 9' ' ' SER . 2.4 pt? -148.32 -44.29 0.16 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.637 0.256 . . . . 0.0 110.86 179.752 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.528 ' H ' HD23 ' A' ' 8' ' ' LEU . 65.0 m -164.9 -35.57 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.797 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.415 ' HA ' ' HE3' ' A' ' 10' ' ' LYS . 21.8 mmmt 51.41 83.24 0.05 Allowed 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.431 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -105.7 -22.98 12.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.92 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.464 ' NZ ' ' H ' ' A' ' 2' ' ' ASP . 0.6 OUTLIER . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.254 -0.879 . . . . 0.0 110.909 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 ptp . . . . . 0 N--CA 1.484 1.236 0 CA-C-O 120.824 0.345 . . . . 0.0 111.111 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -146.71 99.39 3.19 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.766 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.4 p -159.16 -20.49 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.769 -179.714 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -55.43 -66.19 0.46 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.63 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.502 ' HB2' HD22 ' A' ' 8' ' ' LEU . 18.6 mmt -65.85 140.5 58.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.772 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 17.4 tppt? -71.38 -8.76 55.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.901 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.47 97.65 0.17 Allowed Glycine 0 CA--C 1.517 0.217 0 C-N-CA 120.577 -0.821 . . . . 0.0 112.61 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.502 HD22 ' HB2' ' A' ' 5' ' ' MET . 2.6 pt? -156.6 -41.64 0.07 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.625 0.25 . . . . 0.0 111.046 179.752 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.414 ' H ' HD23 ' A' ' 8' ' ' LEU . 68.7 m -160.89 -41.59 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.005 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 41.3 mmtt 51.89 74.95 0.23 Allowed 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.223 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -105.6 -30.11 9.71 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.835 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.277 -0.868 . . . . 0.0 110.95 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.457 ' SD ' ' N ' ' A' ' 1' ' ' MET . 1.0 OUTLIER . . . . . 0 N--CA 1.485 1.279 0 CA-C-O 120.737 0.303 . . . . 0.0 110.62 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.489 ' H ' ' HZ2' ' A' ' 12' ' ' LYS . 10.8 m-20 -150.97 87.96 1.44 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.006 179.674 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.1 p -157.39 -20.11 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.432 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -63.13 -60.49 3.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.104 179.747 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 93.8 mmm -76.43 149.3 36.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.657 179.727 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -87.09 -12.36 47.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.111 -179.666 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.88 83.47 0.23 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.617 -0.801 . . . . 0.0 112.59 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.447 HD23 ' H ' ' A' ' 8' ' ' LEU . 2.5 pt? -145.22 -42.1 0.23 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.491 0.186 . . . . 0.0 111.026 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.444 ' H ' HD23 ' A' ' 8' ' ' LEU . 77.8 p -178.35 -34.24 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.234 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.42 ' HA ' ' HE2' ' A' ' 10' ' ' LYS . 10.5 mmmm 53.88 88.09 0.04 OUTLIER 'General case' 0 C--O 1.231 0.126 0 CA-C-O 120.821 0.343 . . . . 0.0 111.022 -179.79 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -105.41 -32.06 8.74 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.086 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.489 ' HZ2' ' H ' ' A' ' 2' ' ' ASP . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.254 -0.879 . . . . 0.0 110.915 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.1 mtt . . . . . 0 N--CA 1.485 1.322 0 CA-C-O 120.968 0.413 . . . . 0.0 111.058 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.425 ' H ' ' NZ ' ' A' ' 12' ' ' LYS . 10.8 m-20 -150.66 83.63 1.35 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.657 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.4 p -151.39 -20.66 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.447 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -66.93 -67.49 0.45 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.201 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.762 ' HG3' ' H ' ' A' ' 7' ' ' GLY . 13.5 tpt -67.16 141.23 57.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.281 179.616 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -72.79 -11.9 60.79 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.994 -178.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.762 ' H ' ' HG3' ' A' ' 5' ' ' MET . . . -151.62 103.98 0.25 Allowed Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.451 -0.881 . . . . 0.0 112.723 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.467 ' N ' HD23 ' A' ' 8' ' ' LEU . 2.1 pt? -161.58 -47.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.514 0.197 . . . . 0.0 111.182 179.706 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.432 ' H ' HD23 ' A' ' 8' ' ' LEU . 73.4 m -164.65 -40.04 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.957 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.422 ' HA ' ' HE3' ' A' ' 10' ' ' LYS . 22.4 mmmt 53.11 83.5 0.06 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.3 -179.795 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -105.32 -26.89 11.81 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.127 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.425 ' NZ ' ' H ' ' A' ' 2' ' ' ASP . 0.6 OUTLIER . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.174 -0.917 . . . . 0.0 110.932 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.3 mtt . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.846 0.355 . . . . 0.0 110.8 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.528 ' HA ' HD11 ' A' ' 8' ' ' LEU . 9.4 m-20 57.93 69.88 0.7 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.727 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 1.9 p -148.6 -17.19 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.906 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -57.79 -60.02 4.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.102 179.654 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.454 ' HB2' HD13 ' A' ' 8' ' ' LEU . 68.6 mmm -65.65 146.01 55.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.588 179.418 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -72.92 -3.81 28.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.283 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.2 99.36 0.17 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.796 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.528 HD11 ' HA ' ' A' ' 2' ' ' ASP . 2.1 pt? -159.42 -35.33 0.06 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.661 0.267 . . . . 0.0 110.873 179.754 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.515 ' H ' HD23 ' A' ' 8' ' ' LEU . 69.8 m -161.0 -48.37 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.796 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.5 mmmt 52.04 69.74 0.64 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.192 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -104.94 -22.24 13.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.93 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.255 -0.879 . . . . 0.0 110.824 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.1 mmt . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.951 0.405 . . . . 0.0 110.771 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.53 ' HA ' HD11 ' A' ' 8' ' ' LEU . 12.8 m-20 -151.3 81.11 1.31 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.539 179.625 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.5 p -152.78 -17.58 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.629 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -64.15 -58.61 6.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.186 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 25.9 mmt -78.72 146.86 33.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.655 179.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -80.23 2.94 22.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.431 -179.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.68 94.39 0.12 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.538 -0.839 . . . . 0.0 112.435 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.53 HD11 ' HA ' ' A' ' 2' ' ' ASP . 2.3 pt? -153.89 -41.45 0.09 Allowed 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 121.251 -0.18 . . . . 0.0 111.268 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.403 ' H ' HD23 ' A' ' 8' ' ' LEU . 47.7 t -172.64 -35.23 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 111.765 0.283 . . . . 0.0 111.765 -179.694 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.4 ' HD3' ' HA ' ' A' ' 10' ' ' LYS . 28.1 mmtp 48.81 78.69 0.08 Allowed 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.858 0.361 . . . . 0.0 111.337 -179.343 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -103.23 -7.49 21.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.09 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.493 ' NZ ' ' H ' ' A' ' 2' ' ' ASP . 0.6 OUTLIER . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.833 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.2 ptm . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.745 0.307 . . . . 0.0 111.13 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.499 ' H ' ' NZ ' ' A' ' 12' ' ' LYS . 9.2 m-20 -145.49 103.92 3.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.941 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.5 p -159.29 -22.25 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.748 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -57.7 -58.4 8.52 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.188 179.729 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.418 ' HB2' HD13 ' A' ' 8' ' ' LEU . 23.9 mmt -74.71 143.13 44.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.577 179.778 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -72.77 -12.99 61.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.195 -179.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.69 98.99 0.19 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.541 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.491 HD23 ' H ' ' A' ' 9' ' ' SER . 2.1 pt? -157.87 -34.79 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.676 0.274 . . . . 0.0 110.934 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.491 ' H ' HD23 ' A' ' 8' ' ' LEU . 45.5 t -172.82 -40.64 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.188 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 38.4 mmtt 52.48 78.01 0.14 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.188 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -105.72 -30.49 9.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.784 179.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.499 ' NZ ' ' H ' ' A' ' 2' ' ' ASP . 0.6 OUTLIER . . . . . 0 C--O 1.248 0.994 0 CA-C-O 118.205 -0.902 . . . . 0.0 110.934 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 mtt . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.906 0.384 . . . . 0.0 110.76 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -149.32 88.24 1.57 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.576 179.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 1.9 p -152.35 -19.57 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.824 -179.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -55.83 -63.05 1.3 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.532 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 22.4 mmt -67.16 150.85 48.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.865 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -79.42 -5.94 55.77 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.252 -179.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.83 100.67 0.2 Allowed Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.426 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.483 ' N ' HD23 ' A' ' 8' ' ' LEU . 1.9 pt? -160.52 -38.08 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.582 0.229 . . . . 0.0 111.373 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.42 ' H ' HD23 ' A' ' 8' ' ' LEU . 47.4 t -172.72 -45.21 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.249 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 35.0 mmtt 53.92 67.25 1.04 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.94 0.4 . . . . 0.0 111.07 -179.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -101.96 -19.55 15.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.032 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.868 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.407 ' HB3' ' HZ3' ' A' ' 12' ' ' LYS . 13.6 mmt . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.715 0.293 . . . . 0.0 110.646 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.455 ' H ' ' NZ ' ' A' ' 12' ' ' LYS . 11.6 m-20 -149.98 89.61 1.61 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.053 179.768 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.4 ' H ' ' H ' ' A' ' 4' ' ' PHE . 2.6 p -157.75 -18.3 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.572 -179.789 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.4 ' H ' ' H ' ' A' ' 3' ' ' VAL . 0.1 OUTLIER -65.35 -68.78 0.34 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.337 179.913 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.411 ' HB2' HD13 ' A' ' 8' ' ' LEU . 88.7 mmm -64.94 140.18 58.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.632 179.644 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -68.89 -13.33 62.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.202 -179.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.72 100.6 0.2 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.585 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.543 HD23 ' H ' ' A' ' 9' ' ' SER . 2.2 pt? -155.64 -39.49 0.08 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.678 0.275 . . . . 0.0 110.892 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.543 ' H ' HD23 ' A' ' 8' ' ' LEU . 75.3 m -165.94 -43.47 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.698 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.42 ' HA ' ' HE2' ' A' ' 10' ' ' LYS . 10.7 mmmm 52.66 82.08 0.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.271 -179.802 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -105.55 -32.57 8.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.966 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.455 ' NZ ' ' H ' ' A' ' 2' ' ' ASP . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.3 -0.857 . . . . 0.0 110.857 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.3 mtm . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.945 0.403 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.463 ' H ' ' NZ ' ' A' ' 12' ' ' LYS . 12.5 m-20 -149.08 84.67 1.45 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.744 179.644 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.4 p -151.39 -18.71 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.685 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.63 -57.86 11.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.185 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.424 ' HB2' HD22 ' A' ' 8' ' ' LEU . 14.0 mmt -84.05 152.75 24.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.711 179.686 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.9 tppp? -83.64 -13.85 53.25 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.072 -179.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.6 93.6 0.16 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.612 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.451 ' HG ' ' N ' ' A' ' 9' ' ' SER . 2.7 pt? -154.56 -43.25 0.09 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.696 0.284 . . . . 0.0 110.849 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.451 ' N ' ' HG ' ' A' ' 8' ' ' LEU . 72.4 m -163.61 -39.46 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.031 -179.632 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.408 ' HA ' ' HE3' ' A' ' 10' ' ' LYS . 22.1 mmmt 52.64 79.85 0.11 Allowed 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.226 -179.757 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -105.55 -31.85 8.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.915 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.463 ' NZ ' ' H ' ' A' ' 2' ' ' ASP . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.116 0 CA-C-O 118.21 -0.9 . . . . 0.0 110.96 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.9 mmm . . . . . 0 N--CA 1.488 1.429 0 CA-C-O 120.827 0.346 . . . . 0.0 110.772 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.464 ' H ' ' NZ ' ' A' ' 12' ' ' LYS . 18.6 m-20 -150.7 73.53 1.13 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.668 179.726 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 1.6 p -140.42 -19.45 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.405 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -65.23 -63.94 0.98 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.264 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 25.8 mmt -79.96 143.87 33.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.622 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -79.73 -8.24 59.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.201 -179.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.86 88.92 0.14 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.802 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.528 HD23 ' H ' ' A' ' 9' ' ' SER . 2.4 pt? -148.32 -44.29 0.16 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.637 0.256 . . . . 0.0 110.86 179.752 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.528 ' H ' HD23 ' A' ' 8' ' ' LEU . 65.0 m -164.9 -35.57 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.797 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.415 ' HA ' ' HE3' ' A' ' 10' ' ' LYS . 21.8 mmmt 51.41 83.24 0.05 Allowed 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.431 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -105.7 -22.98 12.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.92 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.464 ' NZ ' ' H ' ' A' ' 2' ' ' ASP . 0.6 OUTLIER . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.254 -0.879 . . . . 0.0 110.909 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 ptp . . . . . 0 N--CA 1.484 1.236 0 CA-C-O 120.824 0.345 . . . . 0.0 111.111 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -146.71 99.39 3.19 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.766 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.4 p -159.16 -20.49 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.769 -179.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -55.43 -66.19 0.46 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.63 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.502 ' HB2' HD22 ' A' ' 8' ' ' LEU . 18.6 mmt -65.85 140.5 58.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.772 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 17.4 tppt? -71.38 -8.76 55.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.901 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.47 97.65 0.17 Allowed Glycine 0 CA--C 1.517 0.217 0 C-N-CA 120.577 -0.821 . . . . 0.0 112.61 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.502 HD22 ' HB2' ' A' ' 5' ' ' MET . 2.6 pt? -156.6 -41.64 0.07 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.625 0.25 . . . . 0.0 111.046 179.752 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.414 ' H ' HD23 ' A' ' 8' ' ' LEU . 68.7 m -160.89 -41.59 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.005 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 41.3 mmtt 51.89 74.95 0.23 Allowed 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.223 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -105.6 -30.11 9.71 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.835 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.277 -0.868 . . . . 0.0 110.95 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.457 ' SD ' ' N ' ' A' ' 1' ' ' MET . 1.0 OUTLIER . . . . . 0 N--CA 1.485 1.279 0 CA-C-O 120.737 0.303 . . . . 0.0 110.62 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.489 ' H ' ' HZ2' ' A' ' 12' ' ' LYS . 10.8 m-20 -150.97 87.96 1.44 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.006 179.674 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.1 p -157.39 -20.11 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.432 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -63.13 -60.49 3.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.104 179.747 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 93.8 mmm -76.43 149.3 36.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.657 179.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -87.09 -12.36 47.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.111 -179.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.88 83.47 0.23 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.617 -0.801 . . . . 0.0 112.59 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.447 HD23 ' H ' ' A' ' 8' ' ' LEU . 2.5 pt? -145.22 -42.1 0.23 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.491 0.186 . . . . 0.0 111.026 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.444 ' H ' HD23 ' A' ' 8' ' ' LEU . 77.8 p -178.35 -34.24 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.234 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.42 ' HA ' ' HE2' ' A' ' 10' ' ' LYS . 10.5 mmmm 53.88 88.09 0.04 OUTLIER 'General case' 0 C--O 1.231 0.126 0 CA-C-O 120.821 0.343 . . . . 0.0 111.022 -179.79 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -105.41 -32.06 8.74 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.086 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.489 ' HZ2' ' H ' ' A' ' 2' ' ' ASP . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.254 -0.879 . . . . 0.0 110.915 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.1 mtt . . . . . 0 N--CA 1.485 1.322 0 CA-C-O 120.968 0.413 . . . . 0.0 111.058 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.425 ' H ' ' NZ ' ' A' ' 12' ' ' LYS . 10.8 m-20 -150.66 83.63 1.35 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.657 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.4 p -151.39 -20.66 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.447 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -66.93 -67.49 0.45 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.201 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.762 ' HG3' ' H ' ' A' ' 7' ' ' GLY . 13.5 tpt -67.16 141.23 57.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.281 179.616 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -72.79 -11.9 60.79 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.994 -178.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.762 ' H ' ' HG3' ' A' ' 5' ' ' MET . . . -151.62 103.98 0.25 Allowed Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.451 -0.881 . . . . 0.0 112.723 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.467 ' N ' HD23 ' A' ' 8' ' ' LEU . 2.1 pt? -161.58 -47.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.514 0.197 . . . . 0.0 111.182 179.706 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.432 ' H ' HD23 ' A' ' 8' ' ' LEU . 73.4 m -164.65 -40.04 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.957 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.422 ' HA ' ' HE3' ' A' ' 10' ' ' LYS . 22.4 mmmt 53.11 83.5 0.06 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.3 -179.795 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -105.32 -26.89 11.81 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.127 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.425 ' NZ ' ' H ' ' A' ' 2' ' ' ASP . 0.6 OUTLIER . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.174 -0.917 . . . . 0.0 110.932 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.3 mtt . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.846 0.355 . . . . 0.0 110.8 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.528 ' HA ' HD11 ' A' ' 8' ' ' LEU . 9.4 m-20 57.93 69.88 0.7 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.727 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 1.9 p -148.6 -17.19 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.906 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -57.79 -60.02 4.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.102 179.654 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.454 ' HB2' HD13 ' A' ' 8' ' ' LEU . 68.6 mmm -65.65 146.01 55.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.588 179.418 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -72.92 -3.81 28.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.283 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.2 99.36 0.17 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.796 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.528 HD11 ' HA ' ' A' ' 2' ' ' ASP . 2.1 pt? -159.42 -35.33 0.06 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.661 0.267 . . . . 0.0 110.873 179.754 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.515 ' H ' HD23 ' A' ' 8' ' ' LEU . 69.8 m -161.0 -48.37 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.796 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.5 mmmt 52.04 69.74 0.64 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.192 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -104.94 -22.24 13.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.93 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.255 -0.879 . . . . 0.0 110.824 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.1 mmt . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.951 0.405 . . . . 0.0 110.771 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.53 ' HA ' HD11 ' A' ' 8' ' ' LEU . 12.8 m-20 -151.3 81.11 1.31 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.539 179.625 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.5 p -152.78 -17.58 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.629 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -64.15 -58.61 6.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.186 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 25.9 mmt -78.72 146.86 33.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.655 179.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -80.23 2.94 22.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.431 -179.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.68 94.39 0.12 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.538 -0.839 . . . . 0.0 112.435 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.53 HD11 ' HA ' ' A' ' 2' ' ' ASP . 2.3 pt? -153.89 -41.45 0.09 Allowed 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 121.251 -0.18 . . . . 0.0 111.268 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.403 ' H ' HD23 ' A' ' 8' ' ' LEU . 47.7 t -172.64 -35.23 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 111.765 0.283 . . . . 0.0 111.765 -179.694 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.4 ' HD3' ' HA ' ' A' ' 10' ' ' LYS . 28.1 mmtp 48.81 78.69 0.08 Allowed 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.858 0.361 . . . . 0.0 111.337 -179.343 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -103.23 -7.49 21.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.09 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.493 ' NZ ' ' H ' ' A' ' 2' ' ' ASP . 0.6 OUTLIER . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.833 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.2 ptm . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.745 0.307 . . . . 0.0 111.13 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.499 ' H ' ' NZ ' ' A' ' 12' ' ' LYS . 9.2 m-20 -145.49 103.92 3.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.941 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.5 p -159.29 -22.25 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.748 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -57.7 -58.4 8.52 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.188 179.729 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.418 ' HB2' HD13 ' A' ' 8' ' ' LEU . 23.9 mmt -74.71 143.13 44.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.577 179.778 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -72.77 -12.99 61.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.195 -179.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.69 98.99 0.19 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.541 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.491 HD23 ' H ' ' A' ' 9' ' ' SER . 2.1 pt? -157.87 -34.79 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.676 0.274 . . . . 0.0 110.934 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.491 ' H ' HD23 ' A' ' 8' ' ' LEU . 45.5 t -172.82 -40.64 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.188 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 38.4 mmtt 52.48 78.01 0.14 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.188 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -105.72 -30.49 9.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.784 179.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.499 ' NZ ' ' H ' ' A' ' 2' ' ' ASP . 0.6 OUTLIER . . . . . 0 C--O 1.248 0.994 0 CA-C-O 118.205 -0.902 . . . . 0.0 110.934 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 mtt . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.906 0.384 . . . . 0.0 110.76 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -149.32 88.24 1.57 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.576 179.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 1.9 p -152.35 -19.57 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.824 -179.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -55.83 -63.05 1.3 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.532 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 22.4 mmt -67.16 150.85 48.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.865 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -79.42 -5.94 55.77 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.252 -179.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.83 100.67 0.2 Allowed Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.426 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.483 ' N ' HD23 ' A' ' 8' ' ' LEU . 1.9 pt? -160.52 -38.08 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.582 0.229 . . . . 0.0 111.373 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.42 ' H ' HD23 ' A' ' 8' ' ' LEU . 47.4 t -172.72 -45.21 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.249 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 35.0 mmtt 53.92 67.25 1.04 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.94 0.4 . . . . 0.0 111.07 -179.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -101.96 -19.55 15.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.032 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.868 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.407 ' HB3' ' HZ3' ' A' ' 12' ' ' LYS . 13.6 mmt . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.715 0.293 . . . . 0.0 110.646 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.455 ' H ' ' NZ ' ' A' ' 12' ' ' LYS . 11.6 m-20 -149.98 89.61 1.61 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.053 179.768 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.4 ' H ' ' H ' ' A' ' 4' ' ' PHE . 2.6 p -157.75 -18.3 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.572 -179.789 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.4 ' H ' ' H ' ' A' ' 3' ' ' VAL . 0.1 OUTLIER -65.35 -68.78 0.34 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.337 179.913 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.411 ' HB2' HD13 ' A' ' 8' ' ' LEU . 88.7 mmm -64.94 140.18 58.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.632 179.644 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -68.89 -13.33 62.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.202 -179.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.72 100.6 0.2 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.585 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.543 HD23 ' H ' ' A' ' 9' ' ' SER . 2.2 pt? -155.64 -39.49 0.08 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.678 0.275 . . . . 0.0 110.892 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.543 ' H ' HD23 ' A' ' 8' ' ' LEU . 75.3 m -165.94 -43.47 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.698 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.42 ' HA ' ' HE2' ' A' ' 10' ' ' LYS . 10.7 mmmm 52.66 82.08 0.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.271 -179.802 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -105.55 -32.57 8.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.966 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.455 ' NZ ' ' H ' ' A' ' 2' ' ' ASP . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.3 -0.857 . . . . 0.0 110.857 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.3 mtm . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.945 0.403 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.463 ' H ' ' NZ ' ' A' ' 12' ' ' LYS . 12.5 m-20 -149.08 84.67 1.45 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.744 179.644 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.4 p -151.39 -18.71 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.685 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.63 -57.86 11.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.185 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.424 ' HB2' HD22 ' A' ' 8' ' ' LEU . 14.0 mmt -84.05 152.75 24.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.711 179.686 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.9 tppp? -83.64 -13.85 53.25 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.072 -179.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.6 93.6 0.16 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.612 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.451 ' HG ' ' N ' ' A' ' 9' ' ' SER . 2.7 pt? -154.56 -43.25 0.09 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.696 0.284 . . . . 0.0 110.849 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.451 ' N ' ' HG ' ' A' ' 8' ' ' LEU . 72.4 m -163.61 -39.46 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.031 -179.632 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.408 ' HA ' ' HE3' ' A' ' 10' ' ' LYS . 22.1 mmmt 52.64 79.85 0.11 Allowed 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.226 -179.757 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -105.55 -31.85 8.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.915 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.463 ' NZ ' ' H ' ' A' ' 2' ' ' ASP . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.116 0 CA-C-O 118.21 -0.9 . . . . 0.0 110.96 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.9 mmm . . . . . 0 N--CA 1.488 1.429 0 CA-C-O 120.827 0.346 . . . . 0.0 110.772 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.464 ' H ' ' NZ ' ' A' ' 12' ' ' LYS . 18.6 m-20 -150.7 73.53 1.13 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.668 179.726 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 1.6 p -140.42 -19.45 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.405 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -65.23 -63.94 0.98 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.264 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 25.8 mmt -79.96 143.87 33.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.622 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -79.73 -8.24 59.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.201 -179.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.86 88.92 0.14 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.802 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.528 HD23 ' H ' ' A' ' 9' ' ' SER . 2.4 pt? -148.32 -44.29 0.16 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.637 0.256 . . . . 0.0 110.86 179.752 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.528 ' H ' HD23 ' A' ' 8' ' ' LEU . 65.0 m -164.9 -35.57 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.797 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.415 ' HA ' ' HE3' ' A' ' 10' ' ' LYS . 21.8 mmmt 51.41 83.24 0.05 Allowed 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.431 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -105.7 -22.98 12.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.92 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.464 ' NZ ' ' H ' ' A' ' 2' ' ' ASP . 0.6 OUTLIER . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.254 -0.879 . . . . 0.0 110.909 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 ptp . . . . . 0 N--CA 1.484 1.236 0 CA-C-O 120.824 0.345 . . . . 0.0 111.111 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -146.71 99.39 3.19 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.766 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.4 p -159.16 -20.49 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.769 -179.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -55.43 -66.19 0.46 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.63 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.502 ' HB2' HD22 ' A' ' 8' ' ' LEU . 18.6 mmt -65.85 140.5 58.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.772 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 17.4 tppt? -71.38 -8.76 55.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.901 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.47 97.65 0.17 Allowed Glycine 0 CA--C 1.517 0.217 0 C-N-CA 120.577 -0.821 . . . . 0.0 112.61 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.502 HD22 ' HB2' ' A' ' 5' ' ' MET . 2.6 pt? -156.6 -41.64 0.07 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.625 0.25 . . . . 0.0 111.046 179.752 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.414 ' H ' HD23 ' A' ' 8' ' ' LEU . 68.7 m -160.89 -41.59 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.005 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 41.3 mmtt 51.89 74.95 0.23 Allowed 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.223 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -105.6 -30.11 9.71 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.835 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.277 -0.868 . . . . 0.0 110.95 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.457 ' SD ' ' N ' ' A' ' 1' ' ' MET . 1.0 OUTLIER . . . . . 0 N--CA 1.485 1.279 0 CA-C-O 120.737 0.303 . . . . 0.0 110.62 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.489 ' H ' ' HZ2' ' A' ' 12' ' ' LYS . 10.8 m-20 -150.97 87.96 1.44 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.006 179.674 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.1 p -157.39 -20.11 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.432 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -63.13 -60.49 3.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.104 179.747 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 93.8 mmm -76.43 149.3 36.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.657 179.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -87.09 -12.36 47.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.111 -179.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.88 83.47 0.23 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.617 -0.801 . . . . 0.0 112.59 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.447 HD23 ' H ' ' A' ' 8' ' ' LEU . 2.5 pt? -145.22 -42.1 0.23 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.491 0.186 . . . . 0.0 111.026 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.444 ' H ' HD23 ' A' ' 8' ' ' LEU . 77.8 p -178.35 -34.24 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.234 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.42 ' HA ' ' HE2' ' A' ' 10' ' ' LYS . 10.5 mmmm 53.88 88.09 0.04 OUTLIER 'General case' 0 C--O 1.231 0.126 0 CA-C-O 120.821 0.343 . . . . 0.0 111.022 -179.79 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -105.41 -32.06 8.74 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.086 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.489 ' HZ2' ' H ' ' A' ' 2' ' ' ASP . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.254 -0.879 . . . . 0.0 110.915 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.1 mtt . . . . . 0 N--CA 1.485 1.322 0 CA-C-O 120.968 0.413 . . . . 0.0 111.058 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.425 ' H ' ' NZ ' ' A' ' 12' ' ' LYS . 10.8 m-20 -150.66 83.63 1.35 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.657 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.4 p -151.39 -20.66 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.447 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -66.93 -67.49 0.45 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.201 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.762 ' HG3' ' H ' ' A' ' 7' ' ' GLY . 13.5 tpt -67.16 141.23 57.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.281 179.616 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -72.79 -11.9 60.79 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.994 -178.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.762 ' H ' ' HG3' ' A' ' 5' ' ' MET . . . -151.62 103.98 0.25 Allowed Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.451 -0.881 . . . . 0.0 112.723 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.467 ' N ' HD23 ' A' ' 8' ' ' LEU . 2.1 pt? -161.58 -47.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.514 0.197 . . . . 0.0 111.182 179.706 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.432 ' H ' HD23 ' A' ' 8' ' ' LEU . 73.4 m -164.65 -40.04 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.957 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.422 ' HA ' ' HE3' ' A' ' 10' ' ' LYS . 22.4 mmmt 53.11 83.5 0.06 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.3 -179.795 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -105.32 -26.89 11.81 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.127 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.425 ' NZ ' ' H ' ' A' ' 2' ' ' ASP . 0.6 OUTLIER . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.174 -0.917 . . . . 0.0 110.932 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.3 mtt . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.846 0.355 . . . . 0.0 110.8 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.528 ' HA ' HD11 ' A' ' 8' ' ' LEU . 9.4 m-20 57.93 69.88 0.7 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.727 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 1.9 p -148.6 -17.19 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.906 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -57.79 -60.02 4.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.102 179.654 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.454 ' HB2' HD13 ' A' ' 8' ' ' LEU . 68.6 mmm -65.65 146.01 55.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.588 179.418 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -72.92 -3.81 28.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.283 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.2 99.36 0.17 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.796 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.528 HD11 ' HA ' ' A' ' 2' ' ' ASP . 2.1 pt? -159.42 -35.33 0.06 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.661 0.267 . . . . 0.0 110.873 179.754 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.515 ' H ' HD23 ' A' ' 8' ' ' LEU . 69.8 m -161.0 -48.37 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.796 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.5 mmmt 52.04 69.74 0.64 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.192 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -104.94 -22.24 13.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.93 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.255 -0.879 . . . . 0.0 110.824 179.784 . . . . . . . . 1 1 . 1 stop_ save_