data_1t54_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 1t54 _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 full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 6.3 pt . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 121.233 0.539 . . . . 0.0 110.167 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 10.3 tp -56.94 95.56 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.309 -0.869 . . . . 0.0 110.291 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 160.86 -26.4 0.28 Allowed Glycine 0 N--CA 1.49 2.254 0 N-CA-C 109.65 -1.38 . . . . 0.0 109.65 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.433 ' HG2' ' OE2' ' A' ' 7' ' ' GLU . 0.3 OUTLIER 53.62 22.84 3.24 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.2 -1.177 . . . . 0.0 110.162 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 23.5 mm -71.36 -33.55 50.58 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.257 -0.902 . . . . 0.0 110.297 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.454 ' HA ' HG12 ' A' ' 9' ' ' ILE . . . -95.41 15.1 20.45 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.255 -0.903 . . . . 0.0 110.178 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.433 ' OE2' ' HG2' ' A' ' 4' ' ' LYS . 1.9 tt0 -60.74 -24.52 65.77 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.256 -0.902 . . . . 0.0 110.166 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.435 ' O ' ' CG2' ' A' ' 9' ' ' ILE . . . -173.46 93.28 0.1 OUTLIER Glycine 0 N--CA 1.49 2.266 0 N-CA-C 109.668 -1.373 . . . . 0.0 109.668 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.454 HG12 ' HA ' ' A' ' 6' ' ' ALA . 0.7 OUTLIER -157.57 -35.86 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 121.221 -1.164 . . . . 0.0 110.518 179.915 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.9 mmtm -59.35 -39.61 83.76 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.209 -0.932 . . . . 0.0 110.243 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.7 m -68.76 -18.62 64.24 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.235 -0.915 . . . . 0.0 110.292 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -96.21 -17.88 20.47 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.229 -0.919 . . . . 0.0 110.205 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -119.6 39.76 3.54 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.272 -0.892 . . . . 0.0 110.168 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.332 0 O-C-N 119.867 -1.771 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 16.9 tt . . . . . 0 N--CA 1.491 1.625 0 CA-C-O 121.226 0.536 . . . . 0.0 110.202 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 13.1 tp 60.75 88.7 0.08 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.276 -0.89 . . . . 0.0 110.198 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 155.62 -20.44 0.53 Allowed Glycine 0 N--CA 1.49 2.272 0 N-CA-C 109.556 -1.417 . . . . 0.0 109.556 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -119.92 29.52 7.5 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.237 -1.155 . . . . 0.0 110.234 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.0 mt -70.29 -47.88 64.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.255 -0.903 . . . . 0.0 110.181 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.404 ' HA ' HD12 ' A' ' 9' ' ' ILE . . . -158.22 20.24 0.24 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.373 -0.829 . . . . 0.0 110.211 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.433 ' HA ' ' OE1' ' A' ' 7' ' ' GLU . 44.8 tp10 -43.75 -69.73 0.13 Allowed 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.306 -0.871 . . . . 0.0 110.247 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -152.24 88.07 0.13 Allowed Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.519 -1.433 . . . . 0.0 109.519 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.404 HD12 ' HA ' ' A' ' 6' ' ' ALA . 8.6 pt -138.23 -37.49 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.24 -1.153 . . . . 0.0 110.173 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.2 mttt -70.56 -27.89 64.48 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.415 -0.803 . . . . 0.0 110.217 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.22 -22.34 41.9 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.211 -0.93 . . . . 0.0 110.234 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.472 ' N ' HD23 ' A' ' 12' ' ' LEU . 3.3 mm? -97.78 -164.28 1.13 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.219 -0.925 . . . . 0.0 110.189 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 49.46 -152.12 0.15 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.211 -0.931 . . . . 0.0 110.179 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.343 0 O-C-N 119.872 -1.767 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.469 ' CG2' ' N ' ' A' ' 2' ' ' LEU . 68.3 mt . . . . . 0 N--CA 1.491 1.598 0 CA-C-O 121.264 0.554 . . . . 0.0 110.184 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.469 ' N ' ' CG2' ' A' ' 1' ' ' ILE . 7.3 mp -62.93 178.25 0.49 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.216 -0.928 . . . . 0.0 110.148 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 158.81 74.28 0.02 OUTLIER Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.579 -1.408 . . . . 0.0 109.579 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.1 ptmm? -116.89 20.03 14.09 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.384 -1.068 . . . . 0.0 110.317 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.8 mp -57.76 -42.0 80.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.23 -0.919 . . . . 0.0 110.231 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.417 ' O ' ' HB2' ' A' ' 10' ' ' LYS . . . -89.85 -23.21 21.73 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.308 -0.87 . . . . 0.0 110.164 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.02 -16.84 63.82 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.226 -0.921 . . . . 0.0 110.081 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -77.3 1.41 65.11 Favored Glycine 0 N--CA 1.49 2.236 0 N-CA-C 109.622 -1.391 . . . . 0.0 109.622 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.428 ' O ' HD22 ' A' ' 12' ' ' LEU . 4.0 mp -143.13 -45.46 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 121.226 -1.161 . . . . 0.0 110.185 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.417 ' HB2' ' O ' ' A' ' 6' ' ' ALA . 2.9 mmtt -57.49 -28.03 63.06 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.394 -0.816 . . . . 0.0 110.101 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.5 m -85.98 0.17 53.96 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.252 -0.905 . . . . 0.0 110.206 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.456 ' O ' ' HB2' ' A' ' 13' ' ' PHE . 20.6 mt 52.38 55.69 8.78 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.242 -0.912 . . . . 0.0 110.28 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.456 ' HB2' ' O ' ' A' ' 12' ' ' LEU . 25.8 m-85 62.04 136.01 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.294 -0.878 . . . . 0.0 110.209 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.356 0 O-C-N 119.845 -1.784 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.467 ' O ' ' CB ' ' A' ' 2' ' ' LEU . 1.0 OUTLIER . . . . . 0 N--CA 1.491 1.624 0 CA-C-O 121.264 0.554 . . . . 0.0 110.156 . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.467 ' CB ' ' O ' ' A' ' 1' ' ' ILE . 9.1 tp 66.16 44.3 2.62 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.226 -0.921 . . . . 0.0 110.164 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.535 ' O ' ' CG ' ' A' ' 4' ' ' LYS . . . -156.57 54.56 0.4 Allowed Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.502 -1.439 . . . . 0.0 109.502 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.535 ' CG ' ' O ' ' A' ' 3' ' ' GLY . 0.4 OUTLIER 38.17 29.66 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.731 -0.864 . . . . 0.0 110.549 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.508 HD11 ' CA ' ' A' ' 3' ' ' GLY . 2.4 mt -85.07 -35.0 9.36 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.319 -0.863 . . . . 0.0 110.109 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -90.67 9.41 29.92 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.343 -0.848 . . . . 0.0 110.234 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -54.87 -17.57 3.78 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.224 -0.923 . . . . 0.0 110.188 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -135.73 80.76 0.3 Allowed Glycine 0 N--CA 1.49 2.271 0 N-CA-C 109.492 -1.443 . . . . 0.0 109.492 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.467 ' HA ' ' O ' ' A' ' 12' ' ' LEU . 6.8 pt -118.39 -34.93 1.69 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.358 -1.084 . . . . 0.0 110.242 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.52 -32.48 3.4 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.366 -0.834 . . . . 0.0 110.273 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.446 ' O ' ' HB2' ' A' ' 12' ' ' LEU . 0.6 OUTLIER -90.19 -28.11 19.11 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.3 -0.875 . . . . 0.0 110.477 -179.77 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.467 ' O ' ' HA ' ' A' ' 9' ' ' ILE . 0.4 OUTLIER 179.24 -141.02 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.114 -0.991 . . . . 0.0 110.335 -179.898 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -125.27 107.56 10.84 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.271 -0.893 . . . . 0.0 110.183 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.334 0 O-C-N 119.818 -1.801 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.487 HG13 ' N ' ' A' ' 2' ' ' LEU . 23.1 pt . . . . . 0 N--CA 1.492 1.633 0 CA-C-O 121.308 0.575 . . . . 0.0 110.258 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.487 ' N ' HG13 ' A' ' 1' ' ' ILE . 19.5 mt -148.67 125.54 11.24 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.23 -0.919 . . . . 0.0 110.117 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 138.13 45.0 0.08 OUTLIER Glycine 0 N--CA 1.491 2.323 0 N-CA-C 109.581 -1.408 . . . . 0.0 109.581 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.3 ptpt -140.34 17.21 2.4 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.338 -1.095 . . . . 0.0 110.223 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 78.6 mt -47.32 -67.4 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.206 -0.934 . . . . 0.0 110.162 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.445 ' O ' ' HB2' ' A' ' 7' ' ' GLU . . . -129.02 -2.91 5.14 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.388 -0.82 . . . . 0.0 110.269 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.445 ' HB2' ' O ' ' A' ' 6' ' ' ALA . 12.5 tt0 179.84 -39.59 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.208 -0.932 . . . . 0.0 110.251 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 112.63 18.86 7.25 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.657 -1.377 . . . . 0.0 109.657 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.7 pt -154.29 -37.81 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 121.203 -1.175 . . . . 0.0 110.295 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.9 mttp -45.0 -73.25 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.351 -0.843 . . . . 0.0 110.274 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.0 m -66.27 -22.37 66.31 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.291 -0.88 . . . . 0.0 110.332 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.84 -73.91 0.11 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.226 -0.921 . . . . 0.0 110.256 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -97.6 21.62 10.07 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.379 -0.825 . . . . 0.0 110.237 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.367 0 O-C-N 119.882 -1.761 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.44 ' O ' HG13 ' A' ' 1' ' ' ILE . 1.6 pp . . . . . 0 N--CA 1.491 1.594 0 CA-C-O 121.223 0.535 . . . . 0.0 110.225 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 1' ' ' ILE . 0.5 OUTLIER 43.5 -155.75 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.228 -0.92 . . . . 0.0 110.217 179.927 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 92.3 27.15 16.27 Favored Glycine 0 N--CA 1.49 2.253 0 N-CA-C 109.642 -1.383 . . . . 0.0 109.642 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.1 mtmt 54.34 91.28 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.179 -1.189 . . . . 0.0 110.147 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 30.0 mt -78.84 -44.37 25.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.234 -0.916 . . . . 0.0 110.27 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.489 ' HB2' ' CB ' ' A' ' 11' ' ' SER . . . -124.55 -16.72 6.21 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.341 -0.849 . . . . 0.0 110.396 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -56.65 -16.65 6.63 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.182 -0.949 . . . . 0.0 110.198 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.494 ' O ' ' CG2' ' A' ' 9' ' ' ILE . . . -65.17 -69.2 1.4 Allowed Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.624 -1.39 . . . . 0.0 109.624 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.494 ' CG2' ' O ' ' A' ' 8' ' ' GLY . 8.7 pt -158.87 -36.01 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.366 -1.079 . . . . 0.0 110.454 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 9' ' ' ILE . 12.7 mmmt -42.73 -60.37 1.6 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.32 -0.863 . . . . 0.0 110.144 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.489 ' CB ' ' HB2' ' A' ' 6' ' ' ALA . 0.4 OUTLIER -52.62 -56.51 14.88 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.231 -0.918 . . . . 0.0 110.108 179.953 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.449 HD12 ' O ' ' A' ' 11' ' ' SER . 0.1 OUTLIER 173.68 -74.52 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.434 -0.791 . . . . 0.0 110.116 179.899 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -153.34 116.74 4.64 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.371 -0.831 . . . . 0.0 110.21 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.357 0 O-C-N 119.882 -1.761 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 25.1 pt . . . . . 0 N--CA 1.492 1.655 0 CA-C-O 121.221 0.534 . . . . 0.0 110.2 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -141.13 71.64 1.37 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.295 -0.878 . . . . 0.0 110.203 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -167.85 -36.25 0.02 OUTLIER Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.667 -1.373 . . . . 0.0 109.667 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.3 78.91 0.07 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.278 -1.13 . . . . 0.0 110.279 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.514 ' N ' HD13 ' A' ' 5' ' ' ILE . 2.1 mp -63.58 -50.85 76.48 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.191 -0.943 . . . . 0.0 110.067 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.52 ' CB ' ' O ' ' A' ' 12' ' ' LEU . . . -155.97 18.2 0.37 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.363 -0.835 . . . . 0.0 110.364 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.513 ' CB ' ' O ' ' A' ' 6' ' ' ALA . 1.1 tt0 72.02 -54.26 0.68 Allowed 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.312 -0.867 . . . . 0.0 110.362 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.415 ' C ' HG13 ' A' ' 9' ' ' ILE . . . -158.81 -94.64 0.1 Allowed Glycine 0 N--CA 1.489 2.205 0 N-CA-C 109.545 -1.422 . . . . 0.0 109.545 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.429 ' O ' ' C ' ' A' ' 10' ' ' LYS . 21.0 mt -131.31 -35.18 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.285 -1.126 . . . . 0.0 110.062 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 9' ' ' ILE . 0.3 OUTLIER -41.66 -63.09 0.76 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.479 -0.763 . . . . 0.0 110.331 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.466 ' O ' ' O ' ' A' ' 12' ' ' LEU . 0.7 OUTLIER -70.68 -9.83 58.0 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.281 -0.887 . . . . 0.0 110.222 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.52 ' O ' ' CB ' ' A' ' 6' ' ' ALA . 0.2 OUTLIER 46.07 -172.95 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.232 -0.918 . . . . 0.0 110.118 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.536 ' N ' ' CD1' ' A' ' 13' ' ' PHE . 3.8 m-30 -72.8 -150.39 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.205 -0.934 . . . . 0.0 110.172 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.351 0 O-C-N 119.899 -1.751 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.491 1.599 0 CA-C-O 121.213 0.53 . . . . 0.0 110.18 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.5 pp -77.37 155.12 32.12 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.238 -0.914 . . . . 0.0 110.153 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 118.2 -9.33 13.68 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.401 -1.479 . . . . 0.0 109.401 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.5 ptmt -162.46 51.54 0.2 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.292 -1.122 . . . . 0.0 110.218 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.0 mt -80.37 -31.89 13.17 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.25 -0.906 . . . . 0.0 110.077 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -130.67 12.86 5.37 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.334 -0.854 . . . . 0.0 110.131 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.57 -21.0 62.1 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.261 -0.899 . . . . 0.0 110.283 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -46.72 -87.7 0.01 OUTLIER Glycine 0 N--CA 1.49 2.242 0 N-CA-C 109.619 -1.393 . . . . 0.0 109.619 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.592 ' N ' ' CD1' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -127.24 -32.62 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 121.315 -1.109 . . . . 0.0 110.159 -179.939 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 9' ' ' ILE . 3.5 mmtm -42.09 -59.18 1.84 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.399 -0.813 . . . . 0.0 110.079 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.418 ' O ' ' N ' ' A' ' 13' ' ' PHE . 23.7 t -63.89 -18.49 64.24 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.232 -0.918 . . . . 0.0 109.862 179.641 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.556 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 0.4 OUTLIER 56.32 -89.96 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.317 -0.864 . . . . 0.0 110.376 179.866 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.556 ' CD1' ' O ' ' A' ' 12' ' ' LEU . 5.7 m-85 -134.26 16.49 3.76 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.259 -0.901 . . . . 0.0 110.158 -179.734 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.367 0 O-C-N 119.862 -1.774 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 2.8 mp . . . . . 0 N--CA 1.492 1.65 0 CA-C-O 121.272 0.558 . . . . 0.0 110.235 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -120.43 96.11 5.0 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.235 -0.915 . . . . 0.0 110.246 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -166.29 -71.83 0.03 OUTLIER Glycine 0 N--CA 1.491 2.318 0 N-CA-C 109.53 -1.428 . . . . 0.0 109.53 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.65 52.0 3.76 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.439 -1.036 . . . . 0.0 110.203 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 12.7 mm -91.25 -50.72 12.5 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.243 -0.911 . . . . 0.0 110.2 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.452 ' O ' ' HB2' ' A' ' 10' ' ' LYS . . . -128.32 -5.06 5.44 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.395 -0.816 . . . . 0.0 110.244 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.415 ' HA ' ' HB2' ' A' ' 11' ' ' SER . 0.0 OUTLIER -68.51 -13.89 62.63 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.246 -0.908 . . . . 0.0 110.209 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.442 ' O ' HG13 ' A' ' 9' ' ' ILE . . . -43.3 -60.59 3.08 Favored Glycine 0 N--CA 1.491 2.309 0 N-CA-C 109.598 -1.401 . . . . 0.0 109.598 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.537 ' N ' ' CD1' ' A' ' 9' ' ' ILE . 3.3 mp -143.01 -37.21 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.415 -1.05 . . . . 0.0 110.296 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.452 ' HB2' ' O ' ' A' ' 6' ' ' ALA . 4.7 mttt -44.35 -73.17 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.307 -0.871 . . . . 0.0 110.203 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.415 ' HB2' ' HA ' ' A' ' 7' ' ' GLU . 3.5 m -61.56 -23.98 66.34 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.222 -0.924 . . . . 0.0 110.211 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.495 HD23 ' CD1' ' A' ' 13' ' ' PHE . 0.3 OUTLIER -85.39 163.78 18.32 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.247 -0.908 . . . . 0.0 110.237 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.495 ' CD1' HD23 ' A' ' 12' ' ' LEU . 3.9 m-30 56.59 43.49 25.53 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.19 -0.944 . . . . 0.0 110.207 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.335 0 O-C-N 119.9 -1.75 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.472 ' O ' ' N ' ' A' ' 3' ' ' GLY . 6.4 tt . . . . . 0 N--CA 1.492 1.646 0 CA-C-O 121.293 0.568 . . . . 0.0 110.137 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.92 69.0 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.267 -0.896 . . . . 0.0 110.223 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 1' ' ' ILE . . . -93.38 -55.08 1.61 Allowed Glycine 0 N--CA 1.49 2.271 0 N-CA-C 109.507 -1.437 . . . . 0.0 109.507 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.426 ' HB3' ' O ' ' A' ' 3' ' ' GLY . 17.2 ttpt 56.55 60.28 3.18 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.366 -1.079 . . . . 0.0 110.264 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.6 mt -48.35 -62.8 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.218 -0.926 . . . . 0.0 109.997 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.468 ' O ' ' HB2' ' A' ' 7' ' ' GLU . . . -112.19 -26.41 8.82 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.389 -0.819 . . . . 0.0 110.068 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.468 ' HB2' ' O ' ' A' ' 6' ' ' ALA . 3.6 tp10 176.75 -75.77 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.333 -0.854 . . . . 0.0 110.098 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.488 ' C ' ' CD1' ' A' ' 9' ' ' ILE . . . -170.92 -35.04 0.03 OUTLIER Glycine 0 N--CA 1.489 2.23 0 N-CA-C 109.683 -1.367 . . . . 0.0 109.683 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.488 ' CD1' ' C ' ' A' ' 8' ' ' GLY . 3.6 mm -123.32 -23.23 2.6 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 121.202 -1.175 . . . . 0.0 110.156 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.62 -65.47 0.69 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.306 -0.871 . . . . 0.0 110.394 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.464 ' OG ' ' HB3' ' A' ' 6' ' ' ALA . 0.5 OUTLIER -84.13 13.84 4.78 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.233 -0.917 . . . . 0.0 110.348 -179.937 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.455 ' CB ' ' O ' ' A' ' 11' ' ' SER . 0.4 OUTLIER 65.6 -172.63 0.18 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.18 -0.95 . . . . 0.0 110.265 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 50.5 p90 -135.08 176.12 8.95 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.295 -0.878 . . . . 0.0 110.232 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.352 0 O-C-N 119.886 -1.758 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.521 ' O ' ' CG1' ' A' ' 1' ' ' ILE . 1.1 pp . . . . . 0 N--CA 1.491 1.624 0 CA-C-O 121.292 0.568 . . . . 0.0 110.198 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.436 ' HB2' ' O ' ' A' ' 1' ' ' ILE . 1.2 mp 59.67 103.61 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.267 -0.896 . . . . 0.0 110.24 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.455 ' O ' ' CB ' ' A' ' 4' ' ' LYS . . . -140.81 12.75 2.9 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.518 -1.433 . . . . 0.0 109.518 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.455 ' CB ' ' O ' ' A' ' 3' ' ' GLY . 0.0 OUTLIER 65.89 8.62 5.47 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.248 -1.148 . . . . 0.0 110.231 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 17.2 mt -78.28 -33.13 17.34 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.219 -0.926 . . . . 0.0 110.252 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.462 ' O ' ' CG1' ' A' ' 9' ' ' ILE . . . -82.73 -0.28 46.85 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.289 -0.882 . . . . 0.0 110.18 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.489 ' OE2' ' CB ' ' A' ' 10' ' ' LYS . 4.8 mm-40 -63.12 -19.57 64.57 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.279 -0.888 . . . . 0.0 110.209 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -58.12 -15.55 22.43 Favored Glycine 0 N--CA 1.491 2.309 0 N-CA-C 109.711 -1.356 . . . . 0.0 109.711 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.462 ' CG1' ' O ' ' A' ' 6' ' ' ALA . 7.7 pt -120.55 -36.32 1.5 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.625 0 O-C-N 121.147 -1.208 . . . . 0.0 110.238 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.489 ' CB ' ' OE2' ' A' ' 7' ' ' GLU . 0.0 OUTLIER -42.52 -42.54 3.37 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.39 -0.819 . . . . 0.0 110.238 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.435 ' O ' ' HB3' ' A' ' 12' ' ' LEU . 0.3 OUTLIER -90.03 -14.03 34.74 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.249 -0.907 . . . . 0.0 110.257 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.582 ' O ' ' CG ' ' A' ' 13' ' ' PHE . 1.1 tp 60.46 31.26 20.27 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.24 -0.912 . . . . 0.0 110.244 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.582 ' CG ' ' O ' ' A' ' 12' ' ' LEU . 30.6 p90 36.58 -156.13 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.649 -0.657 . . . . 0.0 110.718 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.339 0 O-C-N 119.859 -1.776 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.468 ' O ' ' CG2' ' A' ' 1' ' ' ILE . 13.6 tt . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 121.237 0.541 . . . . 0.0 110.185 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.4 tp 46.73 74.66 0.14 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.262 -0.899 . . . . 0.0 110.177 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.474 ' O ' ' CB ' ' A' ' 4' ' ' LYS . . . -138.99 46.55 0.96 Allowed Glycine 0 N--CA 1.49 2.279 0 N-CA-C 109.541 -1.424 . . . . 0.0 109.541 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.474 ' CB ' ' O ' ' A' ' 3' ' ' GLY . 2.9 ttpp 67.25 62.82 0.45 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.356 -1.084 . . . . 0.0 110.201 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 39.1 mt -103.97 -33.03 2.99 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.264 -0.897 . . . . 0.0 110.158 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.434 ' HB2' ' HB2' ' A' ' 10' ' ' LYS . . . -160.57 21.32 0.14 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.368 -0.832 . . . . 0.0 110.336 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.448 ' OE1' ' HA ' ' A' ' 4' ' ' LYS . 0.5 OUTLIER -44.64 -27.8 0.53 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.227 -0.921 . . . . 0.0 110.288 -179.937 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -46.81 -24.76 2.01 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.631 -1.387 . . . . 0.0 109.631 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.408 ' O ' ' O ' ' A' ' 12' ' ' LEU . 0.7 OUTLIER -148.01 -35.17 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.174 -1.192 . . . . 0.0 110.642 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.434 ' HB2' ' HB2' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -48.69 -37.67 19.23 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.217 -0.927 . . . . 0.0 110.251 -179.929 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.445 ' OG ' ' O ' ' A' ' 7' ' ' GLU . 0.3 OUTLIER -54.13 -27.9 36.29 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.23 -0.919 . . . . 0.0 110.244 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.577 ' HB3' ' CD2' ' A' ' 13' ' ' PHE . 0.2 OUTLIER -134.3 177.88 7.41 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.323 -0.861 . . . . 0.0 110.136 179.951 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.577 ' CD2' ' HB3' ' A' ' 12' ' ' LEU . 65.1 m-85 58.16 179.44 0.06 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.231 -0.918 . . . . 0.0 110.153 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.333 0 O-C-N 119.893 -1.754 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 4.3 mt . . . . . 0 N--CA 1.491 1.622 0 CA-C-O 121.235 0.541 . . . . 0.0 110.208 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -115.2 61.73 0.69 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.268 -0.895 . . . . 0.0 110.191 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.413 ' O ' ' HG3' ' A' ' 4' ' ' LYS . . . -150.18 20.92 1.09 Allowed Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.475 -1.45 . . . . 0.0 109.475 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.413 ' HG3' ' O ' ' A' ' 3' ' ' GLY . 4.4 mtmp? -150.13 78.93 1.35 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.298 -1.119 . . . . 0.0 110.197 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.4 mp -67.19 -31.62 53.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.244 -0.91 . . . . 0.0 110.231 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.454 ' O ' ' C ' ' A' ' 7' ' ' GLU . . . -170.78 28.96 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.28 -0.888 . . . . 0.0 110.189 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 6' ' ' ALA . 0.4 OUTLIER -38.79 -74.75 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.551 -0.718 . . . . 0.0 110.585 -179.891 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.522 ' O ' ' CG2' ' A' ' 9' ' ' ILE . . . -167.39 34.5 0.21 Allowed Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.637 -1.385 . . . . 0.0 109.637 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.522 ' CG2' ' O ' ' A' ' 8' ' ' GLY . 8.7 pt -159.72 -37.05 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.291 -1.123 . . . . 0.0 110.423 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.05 -24.43 67.47 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.311 -0.868 . . . . 0.0 110.276 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 11.1 m -89.84 -12.74 38.22 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.292 -0.88 . . . . 0.0 110.179 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.464 ' O ' ' HB2' ' A' ' 13' ' ' PHE . 1.5 tp -70.76 -165.56 0.12 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.242 -0.911 . . . . 0.0 110.272 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.464 ' HB2' ' O ' ' A' ' 12' ' ' LEU . 17.5 m-85 62.0 159.92 0.07 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.232 -0.917 . . . . 0.0 110.199 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.376 0 O-C-N 119.83 -1.794 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 21.0 pt . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 121.254 0.55 . . . . 0.0 110.237 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -132.41 97.08 4.0 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.245 -0.909 . . . . 0.0 110.173 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 88.8 28.45 21.28 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.536 -1.426 . . . . 0.0 109.536 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 32.5 tptt -97.8 39.57 1.21 Allowed 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.263 -1.139 . . . . 0.0 110.24 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.2 mt -105.45 -33.37 2.86 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.217 -0.927 . . . . 0.0 110.318 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.457 ' O ' ' HB2' ' A' ' 10' ' ' LYS . . . -126.84 -8.69 6.09 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.313 -0.867 . . . . 0.0 110.398 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 8' ' ' GLY . 0.0 OUTLIER -69.52 -13.52 62.38 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.22 -0.925 . . . . 0.0 110.196 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.426 ' C ' ' O ' ' A' ' 7' ' ' GLU . . . -43.76 -26.41 0.75 Allowed Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.696 -1.362 . . . . 0.0 109.696 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.504 HG23 HD11 ' A' ' 9' ' ' ILE . 4.1 pt -142.83 -37.43 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.238 -1.154 . . . . 0.0 110.438 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.457 ' HB2' ' O ' ' A' ' 6' ' ' ALA . 0.9 OUTLIER -43.93 -50.11 8.24 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.299 -0.876 . . . . 0.0 110.221 -179.881 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.444 ' O ' ' HB2' ' A' ' 12' ' ' LEU . 0.6 OUTLIER -67.47 -52.33 40.63 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.212 -0.93 . . . . 0.0 110.255 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.444 ' HB2' ' O ' ' A' ' 11' ' ' SER . 0.4 OUTLIER -178.66 -170.68 0.21 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.389 -0.819 . . . . 0.0 110.219 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.468 ' N ' ' CD1' ' A' ' 13' ' ' PHE . 5.0 m-85 -75.31 150.59 38.45 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.178 -0.952 . . . . 0.0 110.156 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.311 0 O-C-N 119.838 -1.789 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 26.1 mt . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 121.245 0.545 . . . . 0.0 110.157 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 50.36 -152.5 0.17 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.231 -0.918 . . . . 0.0 110.219 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -163.49 25.13 0.2 Allowed Glycine 0 N--CA 1.49 2.292 0 N-CA-C 109.551 -1.42 . . . . 0.0 109.551 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.1 mttm 53.01 73.69 0.34 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.244 -1.15 . . . . 0.0 110.18 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 7.9 mt -126.95 -32.22 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.228 -0.92 . . . . 0.0 110.193 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -134.69 13.19 3.72 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.33 -0.856 . . . . 0.0 110.203 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.77 -24.65 3.61 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.259 -0.901 . . . . 0.0 110.269 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 166.39 95.91 0.1 Allowed Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.49 -1.444 . . . . 0.0 109.49 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.559 ' CG2' ' N ' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -175.44 -42.18 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.246 -1.149 . . . . 0.0 110.032 -179.923 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.559 ' N ' ' CG2' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -45.93 -39.49 8.91 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.588 -0.695 . . . . 0.0 110.082 179.945 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.458 ' O ' ' HB2' ' A' ' 12' ' ' LEU . 0.2 OUTLIER -74.17 -61.62 1.79 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.326 -0.859 . . . . 0.0 110.185 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.458 ' HB2' ' O ' ' A' ' 11' ' ' SER . 3.8 tp -179.29 57.94 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.408 -0.807 . . . . 0.0 110.135 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.451 ' HB2' ' O ' ' A' ' 12' ' ' LEU . 46.8 m-85 58.31 96.63 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.27 -0.894 . . . . 0.0 110.18 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.342 0 O-C-N 119.839 -1.788 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.442 HG21 HD11 ' A' ' 1' ' ' ILE . 21.6 mm . . . . . 0 N--CA 1.492 1.628 0 CA-C-O 121.2 0.524 . . . . 0.0 110.217 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.1 mp -74.84 -24.92 58.67 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.303 -0.873 . . . . 0.0 110.232 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 89.71 51.36 2.89 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.589 -1.404 . . . . 0.0 109.589 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.26 56.91 1.67 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.37 -1.077 . . . . 0.0 110.213 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.44 HG22 HD13 ' A' ' 5' ' ' ILE . 21.0 mm -107.19 -31.78 2.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.213 -0.929 . . . . 0.0 110.272 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.401 ' O ' ' HB2' ' A' ' 7' ' ' GLU . . . -96.31 -30.02 13.66 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.296 -0.878 . . . . 0.0 110.257 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.508 ' HB3' ' CD1' ' A' ' 9' ' ' ILE . 0.9 OUTLIER 175.42 -30.14 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.272 -0.892 . . . . 0.0 110.129 -179.945 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.416 ' C ' HG13 ' A' ' 9' ' ' ILE . . . 88.48 78.66 1.29 Allowed Glycine 0 N--CA 1.49 2.235 0 N-CA-C 109.508 -1.437 . . . . 0.0 109.508 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.508 ' CD1' ' HB3' ' A' ' 7' ' ' GLU . 3.3 mt -130.98 -43.72 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.317 -1.108 . . . . 0.0 110.046 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.6 mptp? -58.37 -40.44 82.29 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.504 -0.748 . . . . 0.0 110.199 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.7 p -82.35 -30.4 30.39 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.259 -0.901 . . . . 0.0 110.179 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -79.53 -74.7 0.28 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.317 -0.864 . . . . 0.0 110.119 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -79.0 -139.43 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.357 -0.839 . . . . 0.0 110.203 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.318 0 O-C-N 119.864 -1.772 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 6.0 pt . . . . . 0 N--CA 1.491 1.614 0 CA-C-O 121.209 0.528 . . . . 0.0 110.18 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.77 -88.9 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.262 -0.899 . . . . 0.0 110.228 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -151.78 -75.35 0.01 OUTLIER Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.608 -1.397 . . . . 0.0 109.608 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.418 ' CG ' ' HG3' ' A' ' 7' ' ' GLU . 1.5 mptp? -147.8 85.01 1.55 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.382 -1.069 . . . . 0.0 110.356 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 23.0 mt -99.32 -31.59 3.56 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.24 -0.912 . . . . 0.0 110.109 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.523 ' CB ' ' HB2' ' A' ' 10' ' ' LYS . . . -129.12 21.96 5.72 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.364 -0.835 . . . . 0.0 110.198 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.455 ' HA ' ' HB3' ' A' ' 11' ' ' SER . 0.3 OUTLIER -43.21 -26.31 0.16 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.23 -0.919 . . . . 0.0 110.253 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.527 ' O ' ' CG2' ' A' ' 9' ' ' ILE . . . -43.85 -29.4 1.39 Allowed Glycine 0 N--CA 1.491 2.313 0 N-CA-C 109.506 -1.438 . . . . 0.0 109.506 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.527 ' CG2' ' O ' ' A' ' 8' ' ' GLY . 0.7 OUTLIER -161.24 -35.7 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 121.319 -1.106 . . . . 0.0 110.423 179.934 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.523 ' HB2' ' CB ' ' A' ' 6' ' ' ALA . 7.0 tttm -54.41 -23.13 14.54 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.282 -0.886 . . . . 0.0 110.176 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.455 ' HB3' ' HA ' ' A' ' 7' ' ' GLU . 0.3 OUTLIER -83.33 -5.67 59.22 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.299 -0.876 . . . . 0.0 110.222 -179.939 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.2 mp -132.9 -50.64 0.89 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.184 -0.948 . . . . 0.0 110.257 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -119.59 157.38 28.53 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.382 -0.824 . . . . 0.0 110.138 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.318 0 O-C-N 119.854 -1.779 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.506 ' O ' ' CB ' ' A' ' 2' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 121.233 0.539 . . . . 0.0 110.03 . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.506 ' CB ' ' O ' ' A' ' 1' ' ' ILE . 0.5 OUTLIER 71.03 110.03 0.06 Allowed 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.221 -0.924 . . . . 0.0 110.256 -179.829 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 76.49 48.57 9.01 Favored Glycine 0 N--CA 1.491 2.366 0 N-CA-C 109.573 -1.411 . . . . 0.0 109.573 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.6 mttp -69.32 -10.66 58.87 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.37 -1.076 . . . . 0.0 110.284 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 1.6 mp -70.84 -32.02 47.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.246 -0.909 . . . . 0.0 110.226 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.461 ' O ' ' HB3' ' A' ' 11' ' ' SER . . . -131.27 20.01 4.84 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.304 -0.872 . . . . 0.0 110.206 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -47.61 -22.94 0.56 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.259 -0.9 . . . . 0.0 110.292 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.433 ' C ' ' CD1' ' A' ' 9' ' ' ILE . . . -48.14 -88.65 0.01 OUTLIER Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.549 -1.421 . . . . 0.0 109.549 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.575 ' N ' ' CD1' ' A' ' 9' ' ' ILE . 4.0 mp -139.48 -36.21 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.332 -1.099 . . . . 0.0 110.429 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.9 mptt -46.36 -45.14 17.5 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.297 -0.877 . . . . 0.0 110.264 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.461 ' HB3' ' O ' ' A' ' 6' ' ' ALA . 0.3 OUTLIER -61.38 -44.57 96.94 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.257 -0.902 . . . . 0.0 110.287 -179.936 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.45 ' HB2' ' O ' ' A' ' 11' ' ' SER . 0.2 OUTLIER 176.14 -144.99 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.368 -0.832 . . . . 0.0 110.219 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -101.12 27.52 6.05 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.221 -0.924 . . . . 0.0 110.135 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.383 0 O-C-N 119.909 -1.744 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.447 ' O ' ' CG1' ' A' ' 1' ' ' ILE . 2.5 tt . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 121.228 0.537 . . . . 0.0 110.246 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.574 ' CD2' ' N ' ' A' ' 2' ' ' LEU . 2.5 pt? -161.06 -158.64 0.6 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.219 -0.925 . . . . 0.0 110.229 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.416 ' N ' ' HG ' ' A' ' 2' ' ' LEU . . . -176.78 36.66 0.09 OUTLIER Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 9.8 tttp -67.02 -7.36 22.06 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.323 -1.104 . . . . 0.0 110.287 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 58.7 mt -56.51 -45.38 82.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.303 -0.873 . . . . 0.0 110.305 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.437 ' O ' ' CB ' ' A' ' 10' ' ' LYS . . . -51.31 -41.71 60.7 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.369 -0.832 . . . . 0.0 110.336 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.434 ' O ' ' OG ' ' A' ' 11' ' ' SER . 1.8 mt-10 -68.42 -13.81 62.56 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.328 -0.858 . . . . 0.0 110.168 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.457 ' O ' HG13 ' A' ' 9' ' ' ILE . . . -72.02 -33.82 62.23 Favored Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.724 -1.351 . . . . 0.0 109.724 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.459 ' N ' ' CD1' ' A' ' 9' ' ' ILE . 3.0 mp -142.43 -42.2 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.296 -1.12 . . . . 0.0 110.344 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.437 ' CB ' ' O ' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -51.45 -26.0 7.38 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.376 -0.828 . . . . 0.0 110.206 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.434 ' OG ' ' O ' ' A' ' 7' ' ' GLU . 1.1 p -71.76 -14.43 62.0 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.245 -0.909 . . . . 0.0 110.148 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.2 mt -142.1 -87.08 0.16 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.23 -0.919 . . . . 0.0 110.203 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.445 ' HB2' HG21 ' A' ' 9' ' ' ILE . 98.6 m-85 -66.4 -17.36 64.73 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.311 -0.868 . . . . 0.0 110.209 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.368 0 O-C-N 119.904 -1.748 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 29.3 mm . . . . . 0 N--CA 1.492 1.628 0 CA-C-O 121.233 0.54 . . . . 0.0 110.242 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 9.7 tt -123.19 148.34 45.89 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.311 -0.868 . . . . 0.0 110.236 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.441 ' O ' ' OE1' ' A' ' 7' ' ' GLU . . . 96.28 -12.01 66.89 Favored Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.539 -1.424 . . . . 0.0 109.539 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.37 -28.52 1.36 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.216 -1.167 . . . . 0.0 110.176 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.7 mp -74.97 -32.81 28.0 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.259 -0.901 . . . . 0.0 110.073 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.451 ' HB1' ' HB2' ' A' ' 10' ' ' LYS . . . -111.42 21.38 16.27 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.356 -0.84 . . . . 0.0 110.252 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.441 ' OE1' ' O ' ' A' ' 3' ' ' GLY . 0.5 OUTLIER -42.76 -26.3 0.12 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.234 -0.916 . . . . 0.0 110.363 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.472 ' O ' ' CG2' ' A' ' 9' ' ' ILE . . . -43.57 -60.8 3.13 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.614 -1.394 . . . . 0.0 109.614 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.472 ' CG2' ' O ' ' A' ' 8' ' ' GLY . 5.1 pt -157.85 -37.54 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.389 -1.065 . . . . 0.0 110.221 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.451 ' HB2' ' HB1' ' A' ' 6' ' ' ALA . 3.1 mttp -47.15 -40.59 16.02 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.381 -0.825 . . . . 0.0 110.185 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 44.0 t -71.98 -9.9 59.01 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.256 -0.902 . . . . 0.0 110.19 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 58.17 -175.59 0.08 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.331 -0.856 . . . . 0.0 110.184 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -75.12 57.9 0.87 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.249 -0.907 . . . . 0.0 110.194 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.376 0 O-C-N 119.881 -1.762 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 6.3 pt . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 121.233 0.539 . . . . 0.0 110.167 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.476 ' HA ' HD12 ' A' ' 2' ' ' LEU . 10.3 tp -56.94 95.56 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.309 -0.869 . . . . 0.0 110.291 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 160.86 -26.4 0.28 Allowed Glycine 0 N--CA 1.49 2.254 0 N-CA-C 109.65 -1.38 . . . . 0.0 109.65 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.444 ' HG2' ' OE2' ' A' ' 7' ' ' GLU . 0.3 OUTLIER 53.62 22.84 3.24 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.2 -1.177 . . . . 0.0 110.162 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.411 HD13 ' HA ' ' A' ' 5' ' ' ILE . 23.5 mm -71.36 -33.55 50.58 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.257 -0.902 . . . . 0.0 110.297 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.51 ' HA ' HG12 ' A' ' 9' ' ' ILE . . . -95.41 15.1 20.45 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.255 -0.903 . . . . 0.0 110.178 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.444 ' OE2' ' HG2' ' A' ' 4' ' ' LYS . 1.9 tt0 -60.74 -24.52 65.77 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.256 -0.902 . . . . 0.0 110.166 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.652 ' O ' HG23 ' A' ' 9' ' ' ILE . . . -173.46 93.28 0.1 OUTLIER Glycine 0 N--CA 1.49 2.266 0 N-CA-C 109.668 -1.373 . . . . 0.0 109.668 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.652 HG23 ' O ' ' A' ' 8' ' ' GLY . 0.7 OUTLIER -157.57 -35.86 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 121.221 -1.164 . . . . 0.0 110.518 179.915 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.9 mmtm -59.35 -39.61 83.76 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.209 -0.932 . . . . 0.0 110.243 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.7 m -68.76 -18.62 64.24 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.235 -0.915 . . . . 0.0 110.292 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -96.21 -17.88 20.47 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.229 -0.919 . . . . 0.0 110.205 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -119.6 39.76 3.54 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.272 -0.892 . . . . 0.0 110.168 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.332 0 O-C-N 119.867 -1.771 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 16.9 tt . . . . . 0 N--CA 1.491 1.625 0 CA-C-O 121.226 0.536 . . . . 0.0 110.202 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.457 ' HA ' HD12 ' A' ' 2' ' ' LEU . 13.1 tp 60.75 88.7 0.08 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.276 -0.89 . . . . 0.0 110.198 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 155.62 -20.44 0.53 Allowed Glycine 0 N--CA 1.49 2.272 0 N-CA-C 109.556 -1.417 . . . . 0.0 109.556 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -119.92 29.52 7.5 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.237 -1.155 . . . . 0.0 110.234 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.0 mt -70.29 -47.88 64.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.255 -0.903 . . . . 0.0 110.181 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -158.22 20.24 0.24 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.373 -0.829 . . . . 0.0 110.211 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.402 ' OE1' ' HA ' ' A' ' 7' ' ' GLU . 44.8 tp10 -43.75 -69.73 0.13 Allowed 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.306 -0.871 . . . . 0.0 110.247 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -152.24 88.07 0.13 Allowed Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.519 -1.433 . . . . 0.0 109.519 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 8.6 pt -138.23 -37.49 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.24 -1.153 . . . . 0.0 110.173 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.2 mttt -70.56 -27.89 64.48 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.415 -0.803 . . . . 0.0 110.217 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.22 -22.34 41.9 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.211 -0.93 . . . . 0.0 110.234 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.465 HD13 ' HA ' ' A' ' 12' ' ' LEU . 3.3 mm? -97.78 -164.28 1.13 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.219 -0.925 . . . . 0.0 110.189 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 49.46 -152.12 0.15 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.211 -0.931 . . . . 0.0 110.179 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.343 0 O-C-N 119.872 -1.767 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.543 HG22 ' N ' ' A' ' 2' ' ' LEU . 68.3 mt . . . . . 0 N--CA 1.491 1.598 0 CA-C-O 121.264 0.554 . . . . 0.0 110.184 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.543 ' N ' HG22 ' A' ' 1' ' ' ILE . 7.3 mp -62.93 178.25 0.49 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.216 -0.928 . . . . 0.0 110.148 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 158.81 74.28 0.02 OUTLIER Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.579 -1.408 . . . . 0.0 109.579 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.406 ' HA ' ' HB2' ' A' ' 7' ' ' GLU . 1.1 ptmm? -116.89 20.03 14.09 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.384 -1.068 . . . . 0.0 110.317 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.569 HD12 ' H ' ' A' ' 5' ' ' ILE . 2.8 mp -57.76 -42.0 80.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.23 -0.919 . . . . 0.0 110.231 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.414 ' O ' ' HB2' ' A' ' 10' ' ' LYS . . . -89.85 -23.21 21.73 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.308 -0.87 . . . . 0.0 110.164 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.406 ' HB2' ' HA ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -69.02 -16.84 63.82 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.226 -0.921 . . . . 0.0 110.081 179.927 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.593 ' C ' HD12 ' A' ' 9' ' ' ILE . . . -77.3 1.41 65.11 Favored Glycine 0 N--CA 1.49 2.236 0 N-CA-C 109.622 -1.391 . . . . 0.0 109.622 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.593 HD12 ' C ' ' A' ' 8' ' ' GLY . 4.0 mp -143.13 -45.46 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 121.226 -1.161 . . . . 0.0 110.185 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.414 ' HB2' ' O ' ' A' ' 6' ' ' ALA . 2.9 mmtt -57.49 -28.03 63.06 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.394 -0.816 . . . . 0.0 110.101 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.5 m -85.98 0.17 53.96 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.252 -0.905 . . . . 0.0 110.206 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.439 ' O ' ' HB2' ' A' ' 13' ' ' PHE . 20.6 mt 52.38 55.69 8.78 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.242 -0.912 . . . . 0.0 110.28 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.439 ' HB2' ' O ' ' A' ' 12' ' ' LEU . 25.8 m-85 62.04 136.01 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.294 -0.878 . . . . 0.0 110.209 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.356 0 O-C-N 119.845 -1.784 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.682 ' O ' HG23 ' A' ' 1' ' ' ILE . 1.0 OUTLIER . . . . . 0 N--CA 1.491 1.624 0 CA-C-O 121.264 0.554 . . . . 0.0 110.156 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.467 ' CB ' ' O ' ' A' ' 1' ' ' ILE . 9.1 tp 66.16 44.3 2.62 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.226 -0.921 . . . . 0.0 110.164 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.535 ' O ' ' CG ' ' A' ' 4' ' ' LYS . . . -156.57 54.56 0.4 Allowed Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.502 -1.439 . . . . 0.0 109.502 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.535 ' CG ' ' O ' ' A' ' 3' ' ' GLY . 0.4 OUTLIER 38.17 29.66 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.731 -0.864 . . . . 0.0 110.549 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.475 ' N ' ' O ' ' A' ' 3' ' ' GLY . 2.4 mt -85.07 -35.0 9.36 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.319 -0.863 . . . . 0.0 110.109 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -90.67 9.41 29.92 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.343 -0.848 . . . . 0.0 110.234 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -54.87 -17.57 3.78 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.224 -0.923 . . . . 0.0 110.188 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -135.73 80.76 0.3 Allowed Glycine 0 N--CA 1.49 2.271 0 N-CA-C 109.492 -1.443 . . . . 0.0 109.492 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.512 ' HA ' ' O ' ' A' ' 12' ' ' LEU . 6.8 pt -118.39 -34.93 1.69 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.358 -1.084 . . . . 0.0 110.242 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.52 -32.48 3.4 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.366 -0.834 . . . . 0.0 110.273 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.432 ' O ' ' HB2' ' A' ' 12' ' ' LEU . 0.6 OUTLIER -90.19 -28.11 19.11 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.3 -0.875 . . . . 0.0 110.477 -179.77 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.512 ' O ' ' HA ' ' A' ' 9' ' ' ILE . 0.4 OUTLIER 179.24 -141.02 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.114 -0.991 . . . . 0.0 110.335 -179.898 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -125.27 107.56 10.84 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.271 -0.893 . . . . 0.0 110.183 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.334 0 O-C-N 119.818 -1.801 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.502 HG13 ' N ' ' A' ' 2' ' ' LEU . 23.1 pt . . . . . 0 N--CA 1.492 1.633 0 CA-C-O 121.308 0.575 . . . . 0.0 110.258 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.502 ' N ' HG13 ' A' ' 1' ' ' ILE . 19.5 mt -148.67 125.54 11.24 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.23 -0.919 . . . . 0.0 110.117 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 138.13 45.0 0.08 OUTLIER Glycine 0 N--CA 1.491 2.323 0 N-CA-C 109.581 -1.408 . . . . 0.0 109.581 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.3 ptpt -140.34 17.21 2.4 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.338 -1.095 . . . . 0.0 110.223 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 78.6 mt -47.32 -67.4 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.206 -0.934 . . . . 0.0 110.162 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.435 ' O ' ' HB2' ' A' ' 7' ' ' GLU . . . -129.02 -2.91 5.14 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.388 -0.82 . . . . 0.0 110.269 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.435 ' HB2' ' O ' ' A' ' 6' ' ' ALA . 12.5 tt0 179.84 -39.59 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.208 -0.932 . . . . 0.0 110.251 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.521 ' O ' HG23 ' A' ' 9' ' ' ILE . . . 112.63 18.86 7.25 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.657 -1.377 . . . . 0.0 109.657 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.521 HG23 ' O ' ' A' ' 8' ' ' GLY . 7.7 pt -154.29 -37.81 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 121.203 -1.175 . . . . 0.0 110.295 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.9 mttp -45.0 -73.25 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.351 -0.843 . . . . 0.0 110.274 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.0 m -66.27 -22.37 66.31 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.291 -0.88 . . . . 0.0 110.332 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.417 HD22 ' HA ' ' A' ' 12' ' ' LEU . 0.2 OUTLIER -64.84 -73.91 0.11 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.226 -0.921 . . . . 0.0 110.256 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -97.6 21.62 10.07 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.379 -0.825 . . . . 0.0 110.237 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.367 0 O-C-N 119.882 -1.761 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.429 HG13 ' O ' ' A' ' 1' ' ' ILE . 1.6 pp . . . . . 0 N--CA 1.491 1.594 0 CA-C-O 121.223 0.535 . . . . 0.0 110.225 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 1' ' ' ILE . 0.5 OUTLIER 43.5 -155.75 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.228 -0.92 . . . . 0.0 110.217 179.927 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 92.3 27.15 16.27 Favored Glycine 0 N--CA 1.49 2.253 0 N-CA-C 109.642 -1.383 . . . . 0.0 109.642 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.1 mtmt 54.34 91.28 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.179 -1.189 . . . . 0.0 110.147 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 30.0 mt -78.84 -44.37 25.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.234 -0.916 . . . . 0.0 110.27 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.61 ' HB1' ' CB ' ' A' ' 11' ' ' SER . . . -124.55 -16.72 6.21 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.341 -0.849 . . . . 0.0 110.396 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -56.65 -16.65 6.63 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.182 -0.949 . . . . 0.0 110.198 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.688 ' O ' HG23 ' A' ' 9' ' ' ILE . . . -65.17 -69.2 1.4 Allowed Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.624 -1.39 . . . . 0.0 109.624 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.688 HG23 ' O ' ' A' ' 8' ' ' GLY . 8.7 pt -158.87 -36.01 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.366 -1.079 . . . . 0.0 110.454 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 9' ' ' ILE . 12.7 mmmt -42.73 -60.37 1.6 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.32 -0.863 . . . . 0.0 110.144 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.61 ' CB ' ' HB1' ' A' ' 6' ' ' ALA . 0.4 OUTLIER -52.62 -56.51 14.88 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.231 -0.918 . . . . 0.0 110.108 179.953 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.469 HD23 ' HD2' ' A' ' 13' ' ' PHE . 0.1 OUTLIER 173.68 -74.52 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.434 -0.791 . . . . 0.0 110.116 179.899 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.469 ' HD2' HD23 ' A' ' 12' ' ' LEU . 43.1 m-85 -153.34 116.74 4.64 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.371 -0.831 . . . . 0.0 110.21 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.357 0 O-C-N 119.882 -1.761 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 25.1 pt . . . . . 0 N--CA 1.492 1.655 0 CA-C-O 121.221 0.534 . . . . 0.0 110.2 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.411 ' HA ' HD13 ' A' ' 2' ' ' LEU . 0.0 OUTLIER -141.13 71.64 1.37 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.295 -0.878 . . . . 0.0 110.203 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -167.85 -36.25 0.02 OUTLIER Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.667 -1.373 . . . . 0.0 109.667 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.3 78.91 0.07 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.278 -1.13 . . . . 0.0 110.279 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.622 ' N ' HD12 ' A' ' 5' ' ' ILE . 2.1 mp -63.58 -50.85 76.48 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.191 -0.943 . . . . 0.0 110.067 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.579 ' HB2' ' O ' ' A' ' 12' ' ' LEU . . . -155.97 18.2 0.37 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.363 -0.835 . . . . 0.0 110.364 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.513 ' CB ' ' O ' ' A' ' 6' ' ' ALA . 1.1 tt0 72.02 -54.26 0.68 Allowed 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.312 -0.867 . . . . 0.0 110.362 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.43 ' C ' HG13 ' A' ' 9' ' ' ILE . . . -158.81 -94.64 0.1 Allowed Glycine 0 N--CA 1.489 2.205 0 N-CA-C 109.545 -1.422 . . . . 0.0 109.545 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.43 HG13 ' C ' ' A' ' 8' ' ' GLY . 21.0 mt -131.31 -35.18 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.285 -1.126 . . . . 0.0 110.062 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 9' ' ' ILE . 0.3 OUTLIER -41.66 -63.09 0.76 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.479 -0.763 . . . . 0.0 110.331 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.466 ' O ' ' O ' ' A' ' 12' ' ' LEU . 0.7 OUTLIER -70.68 -9.83 58.0 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.281 -0.887 . . . . 0.0 110.222 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.579 ' O ' ' HB2' ' A' ' 6' ' ' ALA . 0.2 OUTLIER 46.07 -172.95 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.232 -0.918 . . . . 0.0 110.118 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.536 ' N ' ' CD1' ' A' ' 13' ' ' PHE . 3.8 m-30 -72.8 -150.39 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.205 -0.934 . . . . 0.0 110.172 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.351 0 O-C-N 119.899 -1.751 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.4 HG13 ' O ' ' A' ' 1' ' ' ILE . 0.8 OUTLIER . . . . . 0 N--CA 1.491 1.599 0 CA-C-O 121.213 0.53 . . . . 0.0 110.18 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.5 pp -77.37 155.12 32.12 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.238 -0.914 . . . . 0.0 110.153 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 118.2 -9.33 13.68 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.401 -1.479 . . . . 0.0 109.401 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.5 ptmt -162.46 51.54 0.2 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.292 -1.122 . . . . 0.0 110.218 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.0 mt -80.37 -31.89 13.17 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.25 -0.906 . . . . 0.0 110.077 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -130.67 12.86 5.37 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.334 -0.854 . . . . 0.0 110.131 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.57 -21.0 62.1 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.261 -0.899 . . . . 0.0 110.283 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.432 ' C ' HD13 ' A' ' 9' ' ' ILE . . . -46.72 -87.7 0.01 OUTLIER Glycine 0 N--CA 1.49 2.242 0 N-CA-C 109.619 -1.393 . . . . 0.0 109.619 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.814 ' N ' HD13 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -127.24 -32.62 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 121.315 -1.109 . . . . 0.0 110.159 -179.939 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 9' ' ' ILE . 3.5 mmtm -42.09 -59.18 1.84 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.399 -0.813 . . . . 0.0 110.079 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.418 ' O ' ' N ' ' A' ' 13' ' ' PHE . 23.7 t -63.89 -18.49 64.24 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.232 -0.918 . . . . 0.0 109.862 179.641 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.556 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 0.4 OUTLIER 56.32 -89.96 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.317 -0.864 . . . . 0.0 110.376 179.866 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.556 ' CD1' ' O ' ' A' ' 12' ' ' LEU . 5.7 m-85 -134.26 16.49 3.76 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.259 -0.901 . . . . 0.0 110.158 -179.734 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.367 0 O-C-N 119.862 -1.774 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 2.8 mp . . . . . 0 N--CA 1.492 1.65 0 CA-C-O 121.272 0.558 . . . . 0.0 110.235 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -120.43 96.11 5.0 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.235 -0.915 . . . . 0.0 110.246 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -166.29 -71.83 0.03 OUTLIER Glycine 0 N--CA 1.491 2.318 0 N-CA-C 109.53 -1.428 . . . . 0.0 109.53 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.65 52.0 3.76 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.439 -1.036 . . . . 0.0 110.203 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.403 HD12 HG23 ' A' ' 5' ' ' ILE . 12.7 mm -91.25 -50.72 12.5 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.243 -0.911 . . . . 0.0 110.2 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.464 ' O ' ' HB2' ' A' ' 10' ' ' LYS . . . -128.32 -5.06 5.44 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.395 -0.816 . . . . 0.0 110.244 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.438 ' HA ' ' HB2' ' A' ' 11' ' ' SER . 0.0 OUTLIER -68.51 -13.89 62.63 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.246 -0.908 . . . . 0.0 110.209 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.572 ' C ' HD12 ' A' ' 9' ' ' ILE . . . -43.3 -60.59 3.08 Favored Glycine 0 N--CA 1.491 2.309 0 N-CA-C 109.598 -1.401 . . . . 0.0 109.598 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.745 ' N ' HD12 ' A' ' 9' ' ' ILE . 3.3 mp -143.01 -37.21 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.415 -1.05 . . . . 0.0 110.296 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.464 ' HB2' ' O ' ' A' ' 6' ' ' ALA . 4.7 mttt -44.35 -73.17 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.307 -0.871 . . . . 0.0 110.203 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.438 ' HB2' ' HA ' ' A' ' 7' ' ' GLU . 3.5 m -61.56 -23.98 66.34 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.222 -0.924 . . . . 0.0 110.211 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.63 HD23 ' H ' ' A' ' 13' ' ' PHE . 0.3 OUTLIER -85.39 163.78 18.32 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.247 -0.908 . . . . 0.0 110.237 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.63 ' H ' HD23 ' A' ' 12' ' ' LEU . 3.9 m-30 56.59 43.49 25.53 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.19 -0.944 . . . . 0.0 110.207 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.335 0 O-C-N 119.9 -1.75 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.472 ' O ' ' N ' ' A' ' 3' ' ' GLY . 6.4 tt . . . . . 0 N--CA 1.492 1.646 0 CA-C-O 121.293 0.568 . . . . 0.0 110.137 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.423 ' HA ' HD22 ' A' ' 2' ' ' LEU . 0.8 OUTLIER -65.92 69.0 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.267 -0.896 . . . . 0.0 110.223 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 1' ' ' ILE . . . -93.38 -55.08 1.61 Allowed Glycine 0 N--CA 1.49 2.271 0 N-CA-C 109.507 -1.437 . . . . 0.0 109.507 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.427 ' HB3' ' O ' ' A' ' 3' ' ' GLY . 17.2 ttpt 56.55 60.28 3.18 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.366 -1.079 . . . . 0.0 110.264 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.6 mt -48.35 -62.8 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.218 -0.926 . . . . 0.0 109.997 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.5 ' HB3' ' HB2' ' A' ' 11' ' ' SER . . . -112.19 -26.41 8.82 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.389 -0.819 . . . . 0.0 110.068 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.475 ' HB2' ' O ' ' A' ' 6' ' ' ALA . 3.6 tp10 176.75 -75.77 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.333 -0.854 . . . . 0.0 110.098 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.931 ' C ' HD13 ' A' ' 9' ' ' ILE . . . -170.92 -35.04 0.03 OUTLIER Glycine 0 N--CA 1.489 2.23 0 N-CA-C 109.683 -1.367 . . . . 0.0 109.683 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.931 HD13 ' C ' ' A' ' 8' ' ' GLY . 3.6 mm -123.32 -23.23 2.6 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 121.202 -1.175 . . . . 0.0 110.156 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.62 -65.47 0.69 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.306 -0.871 . . . . 0.0 110.394 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.5 ' HB2' ' HB3' ' A' ' 6' ' ' ALA . 0.5 OUTLIER -84.13 13.84 4.78 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.233 -0.917 . . . . 0.0 110.348 -179.937 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.455 ' CB ' ' O ' ' A' ' 11' ' ' SER . 0.4 OUTLIER 65.6 -172.63 0.18 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.18 -0.95 . . . . 0.0 110.265 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 50.5 p90 -135.08 176.12 8.95 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.295 -0.878 . . . . 0.0 110.232 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.352 0 O-C-N 119.886 -1.758 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.56 ' C ' HD12 ' A' ' 2' ' ' LEU . 1.1 pp . . . . . 0 N--CA 1.491 1.624 0 CA-C-O 121.292 0.568 . . . . 0.0 110.198 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.56 HD12 ' C ' ' A' ' 1' ' ' ILE . 1.2 mp 59.67 103.61 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.267 -0.896 . . . . 0.0 110.24 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.455 ' O ' ' CB ' ' A' ' 4' ' ' LYS . . . -140.81 12.75 2.9 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.518 -1.433 . . . . 0.0 109.518 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.455 ' CB ' ' O ' ' A' ' 3' ' ' GLY . 0.0 OUTLIER 65.89 8.62 5.47 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.248 -1.148 . . . . 0.0 110.231 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 17.2 mt -78.28 -33.13 17.34 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.219 -0.926 . . . . 0.0 110.252 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.462 ' O ' ' CG1' ' A' ' 9' ' ' ILE . . . -82.73 -0.28 46.85 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.289 -0.882 . . . . 0.0 110.18 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.514 ' HA ' ' HB2' ' A' ' 10' ' ' LYS . 4.8 mm-40 -63.12 -19.57 64.57 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.279 -0.888 . . . . 0.0 110.209 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -58.12 -15.55 22.43 Favored Glycine 0 N--CA 1.491 2.309 0 N-CA-C 109.711 -1.356 . . . . 0.0 109.711 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.462 ' CG1' ' O ' ' A' ' 6' ' ' ALA . 7.7 pt -120.55 -36.32 1.5 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.625 0 O-C-N 121.147 -1.208 . . . . 0.0 110.238 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.514 ' HB2' ' HA ' ' A' ' 7' ' ' GLU . 0.0 OUTLIER -42.52 -42.54 3.37 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.39 -0.819 . . . . 0.0 110.238 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.442 ' O ' ' HB3' ' A' ' 12' ' ' LEU . 0.3 OUTLIER -90.03 -14.03 34.74 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.249 -0.907 . . . . 0.0 110.257 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.582 ' O ' ' CG ' ' A' ' 13' ' ' PHE . 1.1 tp 60.46 31.26 20.27 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.24 -0.912 . . . . 0.0 110.244 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.582 ' CG ' ' O ' ' A' ' 12' ' ' LEU . 30.6 p90 36.58 -156.13 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.649 -0.657 . . . . 0.0 110.718 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.339 0 O-C-N 119.859 -1.776 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.73 ' O ' HG23 ' A' ' 1' ' ' ILE . 13.6 tt . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 121.237 0.541 . . . . 0.0 110.185 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.422 ' HA ' HD12 ' A' ' 2' ' ' LEU . 1.4 tp 46.73 74.66 0.14 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.262 -0.899 . . . . 0.0 110.177 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.474 ' O ' ' CB ' ' A' ' 4' ' ' LYS . . . -138.99 46.55 0.96 Allowed Glycine 0 N--CA 1.49 2.279 0 N-CA-C 109.541 -1.424 . . . . 0.0 109.541 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.475 ' HA ' ' OE1' ' A' ' 7' ' ' GLU . 2.9 ttpp 67.25 62.82 0.45 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.356 -1.084 . . . . 0.0 110.201 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 39.1 mt -103.97 -33.03 2.99 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.264 -0.897 . . . . 0.0 110.158 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -160.57 21.32 0.14 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.368 -0.832 . . . . 0.0 110.336 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.475 ' OE1' ' HA ' ' A' ' 4' ' ' LYS . 0.5 OUTLIER -44.64 -27.8 0.53 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.227 -0.921 . . . . 0.0 110.288 -179.937 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -46.81 -24.76 2.01 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.631 -1.387 . . . . 0.0 109.631 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.408 ' O ' ' O ' ' A' ' 12' ' ' LEU . 0.7 OUTLIER -148.01 -35.17 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.174 -1.192 . . . . 0.0 110.642 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.69 -37.67 19.23 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.217 -0.927 . . . . 0.0 110.251 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.43 ' OG ' ' O ' ' A' ' 7' ' ' GLU . 0.3 OUTLIER -54.13 -27.9 36.29 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.23 -0.919 . . . . 0.0 110.244 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.586 ' HB3' ' CD2' ' A' ' 13' ' ' PHE . 0.2 OUTLIER -134.3 177.88 7.41 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.323 -0.861 . . . . 0.0 110.136 179.951 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.586 ' CD2' ' HB3' ' A' ' 12' ' ' LEU . 65.1 m-85 58.16 179.44 0.06 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.231 -0.918 . . . . 0.0 110.153 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.333 0 O-C-N 119.893 -1.754 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.451 HG22 ' O ' ' A' ' 1' ' ' ILE . 4.3 mt . . . . . 0 N--CA 1.491 1.622 0 CA-C-O 121.235 0.541 . . . . 0.0 110.208 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.401 ' HA ' HD22 ' A' ' 2' ' ' LEU . 0.5 OUTLIER -115.2 61.73 0.69 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.268 -0.895 . . . . 0.0 110.191 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.422 ' O ' ' HG3' ' A' ' 4' ' ' LYS . . . -150.18 20.92 1.09 Allowed Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.475 -1.45 . . . . 0.0 109.475 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.422 ' HG3' ' O ' ' A' ' 3' ' ' GLY . 4.4 mtmp? -150.13 78.93 1.35 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.298 -1.119 . . . . 0.0 110.197 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.4 mp -67.19 -31.62 53.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.244 -0.91 . . . . 0.0 110.231 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.454 ' O ' ' C ' ' A' ' 7' ' ' GLU . . . -170.78 28.96 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.28 -0.888 . . . . 0.0 110.189 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 6' ' ' ALA . 0.4 OUTLIER -38.79 -74.75 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.551 -0.718 . . . . 0.0 110.585 -179.891 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.729 ' O ' HG23 ' A' ' 9' ' ' ILE . . . -167.39 34.5 0.21 Allowed Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.637 -1.385 . . . . 0.0 109.637 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.729 HG23 ' O ' ' A' ' 8' ' ' GLY . 8.7 pt -159.72 -37.05 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.291 -1.123 . . . . 0.0 110.423 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.05 -24.43 67.47 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.311 -0.868 . . . . 0.0 110.276 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 11.1 m -89.84 -12.74 38.22 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.292 -0.88 . . . . 0.0 110.179 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.447 ' O ' ' HB2' ' A' ' 13' ' ' PHE . 1.5 tp -70.76 -165.56 0.12 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.242 -0.911 . . . . 0.0 110.272 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.447 ' HB2' ' O ' ' A' ' 12' ' ' LEU . 17.5 m-85 62.0 159.92 0.07 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.232 -0.917 . . . . 0.0 110.199 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.376 0 O-C-N 119.83 -1.794 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 21.0 pt . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 121.254 0.55 . . . . 0.0 110.237 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -132.41 97.08 4.0 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.245 -0.909 . . . . 0.0 110.173 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 88.8 28.45 21.28 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.536 -1.426 . . . . 0.0 109.536 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 32.5 tptt -97.8 39.57 1.21 Allowed 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.263 -1.139 . . . . 0.0 110.24 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.2 mt -105.45 -33.37 2.86 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.217 -0.927 . . . . 0.0 110.318 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.466 ' O ' ' HB2' ' A' ' 10' ' ' LYS . . . -126.84 -8.69 6.09 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.313 -0.867 . . . . 0.0 110.398 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 8' ' ' GLY . 0.0 OUTLIER -69.52 -13.52 62.38 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.22 -0.925 . . . . 0.0 110.196 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.426 ' C ' ' O ' ' A' ' 7' ' ' GLU . . . -43.76 -26.41 0.75 Allowed Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.696 -1.362 . . . . 0.0 109.696 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.412 ' O ' ' C ' ' A' ' 10' ' ' LYS . 4.1 pt -142.83 -37.43 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.238 -1.154 . . . . 0.0 110.438 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.466 ' HB2' ' O ' ' A' ' 6' ' ' ALA . 0.9 OUTLIER -43.93 -50.11 8.24 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.299 -0.876 . . . . 0.0 110.221 -179.881 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.433 ' O ' ' HB2' ' A' ' 12' ' ' LEU . 0.6 OUTLIER -67.47 -52.33 40.63 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.212 -0.93 . . . . 0.0 110.255 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.48 HD23 ' H ' ' A' ' 13' ' ' PHE . 0.4 OUTLIER -178.66 -170.68 0.21 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.389 -0.819 . . . . 0.0 110.219 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.48 ' H ' HD23 ' A' ' 12' ' ' LEU . 5.0 m-85 -75.31 150.59 38.45 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.178 -0.952 . . . . 0.0 110.156 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.311 0 O-C-N 119.838 -1.789 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 26.1 mt . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 121.245 0.545 . . . . 0.0 110.157 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 50.36 -152.5 0.17 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.231 -0.918 . . . . 0.0 110.219 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -163.49 25.13 0.2 Allowed Glycine 0 N--CA 1.49 2.292 0 N-CA-C 109.551 -1.42 . . . . 0.0 109.551 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.1 mttm 53.01 73.69 0.34 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.244 -1.15 . . . . 0.0 110.18 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 7.9 mt -126.95 -32.22 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.228 -0.92 . . . . 0.0 110.193 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -134.69 13.19 3.72 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.33 -0.856 . . . . 0.0 110.203 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.77 -24.65 3.61 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.259 -0.901 . . . . 0.0 110.269 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.405 ' O ' ' HB ' ' A' ' 9' ' ' ILE . . . 166.39 95.91 0.1 Allowed Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.49 -1.444 . . . . 0.0 109.49 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.721 ' O ' HD13 ' A' ' 9' ' ' ILE . 0.1 OUTLIER -175.44 -42.18 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.246 -1.149 . . . . 0.0 110.032 -179.923 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.559 ' N ' ' CG2' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -45.93 -39.49 8.91 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.588 -0.695 . . . . 0.0 110.082 179.945 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.455 ' O ' ' HB2' ' A' ' 12' ' ' LEU . 0.2 OUTLIER -74.17 -61.62 1.79 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.326 -0.859 . . . . 0.0 110.185 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.455 ' HB2' ' O ' ' A' ' 11' ' ' SER . 3.8 tp -179.29 57.94 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.408 -0.807 . . . . 0.0 110.135 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.439 ' HB2' ' O ' ' A' ' 12' ' ' LEU . 46.8 m-85 58.31 96.63 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.27 -0.894 . . . . 0.0 110.18 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.342 0 O-C-N 119.839 -1.788 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.426 HG22 ' H ' ' A' ' 3' ' ' GLY . 21.6 mm . . . . . 0 N--CA 1.492 1.628 0 CA-C-O 121.2 0.524 . . . . 0.0 110.217 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.1 mp -74.84 -24.92 58.67 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.303 -0.873 . . . . 0.0 110.232 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.426 ' H ' HG22 ' A' ' 1' ' ' ILE . . . 89.71 51.36 2.89 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.589 -1.404 . . . . 0.0 109.589 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.26 56.91 1.67 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.37 -1.077 . . . . 0.0 110.213 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 21.0 mm -107.19 -31.78 2.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.213 -0.929 . . . . 0.0 110.272 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -96.31 -30.02 13.66 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.296 -0.878 . . . . 0.0 110.257 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.752 ' HB3' HD11 ' A' ' 9' ' ' ILE . 0.9 OUTLIER 175.42 -30.14 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.272 -0.892 . . . . 0.0 110.129 -179.945 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.411 ' C ' HG13 ' A' ' 9' ' ' ILE . . . 88.48 78.66 1.29 Allowed Glycine 0 N--CA 1.49 2.235 0 N-CA-C 109.508 -1.437 . . . . 0.0 109.508 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.752 HD11 ' HB3' ' A' ' 7' ' ' GLU . 3.3 mt -130.98 -43.72 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.317 -1.108 . . . . 0.0 110.046 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.6 mptp? -58.37 -40.44 82.29 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.504 -0.748 . . . . 0.0 110.199 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.7 p -82.35 -30.4 30.39 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.259 -0.901 . . . . 0.0 110.179 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -79.53 -74.7 0.28 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.317 -0.864 . . . . 0.0 110.119 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -79.0 -139.43 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.357 -0.839 . . . . 0.0 110.203 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.318 0 O-C-N 119.864 -1.772 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 6.0 pt . . . . . 0 N--CA 1.491 1.614 0 CA-C-O 121.209 0.528 . . . . 0.0 110.18 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.472 ' HB2' HD11 ' A' ' 5' ' ' ILE . 0.1 OUTLIER -54.77 -88.9 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.262 -0.899 . . . . 0.0 110.228 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -151.78 -75.35 0.01 OUTLIER Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.608 -1.397 . . . . 0.0 109.608 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.418 ' HG2' ' HG3' ' A' ' 7' ' ' GLU . 1.5 mptp? -147.8 85.01 1.55 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.382 -1.069 . . . . 0.0 110.356 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.472 HD11 ' HB2' ' A' ' 2' ' ' LEU . 23.0 mt -99.32 -31.59 3.56 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.24 -0.912 . . . . 0.0 110.109 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.543 ' CB ' ' HB2' ' A' ' 10' ' ' LYS . . . -129.12 21.96 5.72 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.364 -0.835 . . . . 0.0 110.198 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.517 ' HA ' ' HB3' ' A' ' 11' ' ' SER . 0.3 OUTLIER -43.21 -26.31 0.16 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.23 -0.919 . . . . 0.0 110.253 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.762 ' O ' HG23 ' A' ' 9' ' ' ILE . . . -43.85 -29.4 1.39 Allowed Glycine 0 N--CA 1.491 2.313 0 N-CA-C 109.506 -1.438 . . . . 0.0 109.506 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.762 HG23 ' O ' ' A' ' 8' ' ' GLY . 0.7 OUTLIER -161.24 -35.7 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 121.319 -1.106 . . . . 0.0 110.423 179.934 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.543 ' HB2' ' CB ' ' A' ' 6' ' ' ALA . 7.0 tttm -54.41 -23.13 14.54 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.282 -0.886 . . . . 0.0 110.176 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.517 ' HB3' ' HA ' ' A' ' 7' ' ' GLU . 0.3 OUTLIER -83.33 -5.67 59.22 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.299 -0.876 . . . . 0.0 110.222 -179.939 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.2 mp -132.9 -50.64 0.89 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.184 -0.948 . . . . 0.0 110.257 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -119.59 157.38 28.53 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.382 -0.824 . . . . 0.0 110.138 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.318 0 O-C-N 119.854 -1.779 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.699 HD13 ' N ' ' A' ' 2' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 121.233 0.539 . . . . 0.0 110.03 . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.699 ' N ' HD13 ' A' ' 1' ' ' ILE . 0.5 OUTLIER 71.03 110.03 0.06 Allowed 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.221 -0.924 . . . . 0.0 110.256 -179.829 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 76.49 48.57 9.01 Favored Glycine 0 N--CA 1.491 2.366 0 N-CA-C 109.573 -1.411 . . . . 0.0 109.573 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.6 mttp -69.32 -10.66 58.87 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.37 -1.076 . . . . 0.0 110.284 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 1.6 mp -70.84 -32.02 47.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.246 -0.909 . . . . 0.0 110.226 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.473 ' O ' ' HB3' ' A' ' 11' ' ' SER . . . -131.27 20.01 4.84 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.304 -0.872 . . . . 0.0 110.206 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -47.61 -22.94 0.56 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.259 -0.9 . . . . 0.0 110.292 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.715 ' C ' HD12 ' A' ' 9' ' ' ILE . . . -48.14 -88.65 0.01 OUTLIER Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.549 -1.421 . . . . 0.0 109.549 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.802 ' N ' HD12 ' A' ' 9' ' ' ILE . 4.0 mp -139.48 -36.21 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.332 -1.099 . . . . 0.0 110.429 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.9 mptt -46.36 -45.14 17.5 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.297 -0.877 . . . . 0.0 110.264 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.486 ' O ' HD12 ' A' ' 12' ' ' LEU . 0.3 OUTLIER -61.38 -44.57 96.94 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.257 -0.902 . . . . 0.0 110.287 -179.936 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.486 HD12 ' O ' ' A' ' 11' ' ' SER . 0.2 OUTLIER 176.14 -144.99 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.368 -0.832 . . . . 0.0 110.219 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -101.12 27.52 6.05 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.221 -0.924 . . . . 0.0 110.135 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.383 0 O-C-N 119.909 -1.744 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.447 ' O ' ' CG1' ' A' ' 1' ' ' ILE . 2.5 tt . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 121.228 0.537 . . . . 0.0 110.246 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.762 ' N ' HD23 ' A' ' 2' ' ' LEU . 2.5 pt? -161.06 -158.64 0.6 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.219 -0.925 . . . . 0.0 110.229 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.42 ' N ' ' HG ' ' A' ' 2' ' ' LEU . . . -176.78 36.66 0.09 OUTLIER Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 9.8 tttp -67.02 -7.36 22.06 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.323 -1.104 . . . . 0.0 110.287 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 58.7 mt -56.51 -45.38 82.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.303 -0.873 . . . . 0.0 110.305 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.437 ' O ' ' CB ' ' A' ' 10' ' ' LYS . . . -51.31 -41.71 60.7 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.369 -0.832 . . . . 0.0 110.336 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.434 ' O ' ' OG ' ' A' ' 11' ' ' SER . 1.8 mt-10 -68.42 -13.81 62.56 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.328 -0.858 . . . . 0.0 110.168 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.447 ' O ' HG13 ' A' ' 9' ' ' ILE . . . -72.02 -33.82 62.23 Favored Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.724 -1.351 . . . . 0.0 109.724 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.644 ' N ' HD12 ' A' ' 9' ' ' ILE . 3.0 mp -142.43 -42.2 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.296 -1.12 . . . . 0.0 110.344 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.437 ' CB ' ' O ' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -51.45 -26.0 7.38 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.376 -0.828 . . . . 0.0 110.206 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.434 ' OG ' ' O ' ' A' ' 7' ' ' GLU . 1.1 p -71.76 -14.43 62.0 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.245 -0.909 . . . . 0.0 110.148 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.2 mt -142.1 -87.08 0.16 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.23 -0.919 . . . . 0.0 110.203 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -66.4 -17.36 64.73 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.311 -0.868 . . . . 0.0 110.209 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . 0.476 ' N ' ' O ' ' A' ' 9' ' ' ILE . . . . . . . . 0 C--N 1.305 -1.368 0 O-C-N 119.904 -1.748 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.498 HG22 ' N ' ' A' ' 2' ' ' LEU . 29.3 mm . . . . . 0 N--CA 1.492 1.628 0 CA-C-O 121.233 0.54 . . . . 0.0 110.242 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.684 HD23 ' N ' ' A' ' 3' ' ' GLY . 9.7 tt -123.19 148.34 45.89 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.311 -0.868 . . . . 0.0 110.236 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.684 ' N ' HD23 ' A' ' 2' ' ' LEU . . . 96.28 -12.01 66.89 Favored Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.539 -1.424 . . . . 0.0 109.539 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.37 -28.52 1.36 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.216 -1.167 . . . . 0.0 110.176 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.509 HD12 ' H ' ' A' ' 5' ' ' ILE . 3.7 mp -74.97 -32.81 28.0 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.259 -0.901 . . . . 0.0 110.073 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.904 ' HB1' ' HB2' ' A' ' 10' ' ' LYS . . . -111.42 21.38 16.27 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.356 -0.84 . . . . 0.0 110.252 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.441 ' OE1' ' O ' ' A' ' 3' ' ' GLY . 0.5 OUTLIER -42.76 -26.3 0.12 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.234 -0.916 . . . . 0.0 110.363 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.65 ' O ' HG23 ' A' ' 9' ' ' ILE . . . -43.57 -60.8 3.13 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.614 -1.394 . . . . 0.0 109.614 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.65 HG23 ' O ' ' A' ' 8' ' ' GLY . 5.1 pt -157.85 -37.54 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.389 -1.065 . . . . 0.0 110.221 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.904 ' HB2' ' HB1' ' A' ' 6' ' ' ALA . 3.1 mttp -47.15 -40.59 16.02 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.381 -0.825 . . . . 0.0 110.185 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 44.0 t -71.98 -9.9 59.01 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.256 -0.902 . . . . 0.0 110.19 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 58.17 -175.59 0.08 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.331 -0.856 . . . . 0.0 110.184 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -75.12 57.9 0.87 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.249 -0.907 . . . . 0.0 110.194 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.376 0 O-C-N 119.881 -1.762 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 6.3 pt . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 121.233 0.539 . . . . 0.0 110.167 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.476 ' HA ' HD12 ' A' ' 2' ' ' LEU . 10.3 tp -56.94 95.56 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.309 -0.869 . . . . 0.0 110.291 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 160.86 -26.4 0.28 Allowed Glycine 0 N--CA 1.49 2.254 0 N-CA-C 109.65 -1.38 . . . . 0.0 109.65 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.444 ' HG2' ' OE2' ' A' ' 7' ' ' GLU . 0.3 OUTLIER 53.62 22.84 3.24 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.2 -1.177 . . . . 0.0 110.162 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.411 HD13 ' HA ' ' A' ' 5' ' ' ILE . 23.5 mm -71.36 -33.55 50.58 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.257 -0.902 . . . . 0.0 110.297 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.51 ' HA ' HG12 ' A' ' 9' ' ' ILE . . . -95.41 15.1 20.45 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.255 -0.903 . . . . 0.0 110.178 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.444 ' OE2' ' HG2' ' A' ' 4' ' ' LYS . 1.9 tt0 -60.74 -24.52 65.77 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.256 -0.902 . . . . 0.0 110.166 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.652 ' O ' HG23 ' A' ' 9' ' ' ILE . . . -173.46 93.28 0.1 OUTLIER Glycine 0 N--CA 1.49 2.266 0 N-CA-C 109.668 -1.373 . . . . 0.0 109.668 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.652 HG23 ' O ' ' A' ' 8' ' ' GLY . 0.7 OUTLIER -157.57 -35.86 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 121.221 -1.164 . . . . 0.0 110.518 179.915 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.9 mmtm -59.35 -39.61 83.76 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.209 -0.932 . . . . 0.0 110.243 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.7 m -68.76 -18.62 64.24 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.235 -0.915 . . . . 0.0 110.292 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -96.21 -17.88 20.47 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.229 -0.919 . . . . 0.0 110.205 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -119.6 39.76 3.54 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.272 -0.892 . . . . 0.0 110.168 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.332 0 O-C-N 119.867 -1.771 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 16.9 tt . . . . . 0 N--CA 1.491 1.625 0 CA-C-O 121.226 0.536 . . . . 0.0 110.202 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.457 ' HA ' HD12 ' A' ' 2' ' ' LEU . 13.1 tp 60.75 88.7 0.08 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.276 -0.89 . . . . 0.0 110.198 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 155.62 -20.44 0.53 Allowed Glycine 0 N--CA 1.49 2.272 0 N-CA-C 109.556 -1.417 . . . . 0.0 109.556 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -119.92 29.52 7.5 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.237 -1.155 . . . . 0.0 110.234 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.0 mt -70.29 -47.88 64.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.255 -0.903 . . . . 0.0 110.181 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -158.22 20.24 0.24 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.373 -0.829 . . . . 0.0 110.211 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.402 ' OE1' ' HA ' ' A' ' 7' ' ' GLU . 44.8 tp10 -43.75 -69.73 0.13 Allowed 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.306 -0.871 . . . . 0.0 110.247 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -152.24 88.07 0.13 Allowed Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.519 -1.433 . . . . 0.0 109.519 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 8.6 pt -138.23 -37.49 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.24 -1.153 . . . . 0.0 110.173 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.2 mttt -70.56 -27.89 64.48 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.415 -0.803 . . . . 0.0 110.217 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.22 -22.34 41.9 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.211 -0.93 . . . . 0.0 110.234 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.465 HD13 ' HA ' ' A' ' 12' ' ' LEU . 3.3 mm? -97.78 -164.28 1.13 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.219 -0.925 . . . . 0.0 110.189 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 49.46 -152.12 0.15 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.211 -0.931 . . . . 0.0 110.179 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.343 0 O-C-N 119.872 -1.767 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.543 HG22 ' N ' ' A' ' 2' ' ' LEU . 68.3 mt . . . . . 0 N--CA 1.491 1.598 0 CA-C-O 121.264 0.554 . . . . 0.0 110.184 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.543 ' N ' HG22 ' A' ' 1' ' ' ILE . 7.3 mp -62.93 178.25 0.49 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.216 -0.928 . . . . 0.0 110.148 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 158.81 74.28 0.02 OUTLIER Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.579 -1.408 . . . . 0.0 109.579 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.406 ' HA ' ' HB2' ' A' ' 7' ' ' GLU . 1.1 ptmm? -116.89 20.03 14.09 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.384 -1.068 . . . . 0.0 110.317 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.569 HD12 ' H ' ' A' ' 5' ' ' ILE . 2.8 mp -57.76 -42.0 80.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.23 -0.919 . . . . 0.0 110.231 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.414 ' O ' ' HB2' ' A' ' 10' ' ' LYS . . . -89.85 -23.21 21.73 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.308 -0.87 . . . . 0.0 110.164 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.406 ' HB2' ' HA ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -69.02 -16.84 63.82 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.226 -0.921 . . . . 0.0 110.081 179.927 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.593 ' C ' HD12 ' A' ' 9' ' ' ILE . . . -77.3 1.41 65.11 Favored Glycine 0 N--CA 1.49 2.236 0 N-CA-C 109.622 -1.391 . . . . 0.0 109.622 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.593 HD12 ' C ' ' A' ' 8' ' ' GLY . 4.0 mp -143.13 -45.46 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 121.226 -1.161 . . . . 0.0 110.185 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.414 ' HB2' ' O ' ' A' ' 6' ' ' ALA . 2.9 mmtt -57.49 -28.03 63.06 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.394 -0.816 . . . . 0.0 110.101 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.5 m -85.98 0.17 53.96 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.252 -0.905 . . . . 0.0 110.206 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.439 ' O ' ' HB2' ' A' ' 13' ' ' PHE . 20.6 mt 52.38 55.69 8.78 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.242 -0.912 . . . . 0.0 110.28 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.439 ' HB2' ' O ' ' A' ' 12' ' ' LEU . 25.8 m-85 62.04 136.01 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.294 -0.878 . . . . 0.0 110.209 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.356 0 O-C-N 119.845 -1.784 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.682 ' O ' HG23 ' A' ' 1' ' ' ILE . 1.0 OUTLIER . . . . . 0 N--CA 1.491 1.624 0 CA-C-O 121.264 0.554 . . . . 0.0 110.156 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.467 ' CB ' ' O ' ' A' ' 1' ' ' ILE . 9.1 tp 66.16 44.3 2.62 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.226 -0.921 . . . . 0.0 110.164 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.535 ' O ' ' CG ' ' A' ' 4' ' ' LYS . . . -156.57 54.56 0.4 Allowed Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.502 -1.439 . . . . 0.0 109.502 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.535 ' CG ' ' O ' ' A' ' 3' ' ' GLY . 0.4 OUTLIER 38.17 29.66 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.731 -0.864 . . . . 0.0 110.549 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.475 ' N ' ' O ' ' A' ' 3' ' ' GLY . 2.4 mt -85.07 -35.0 9.36 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.319 -0.863 . . . . 0.0 110.109 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -90.67 9.41 29.92 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.343 -0.848 . . . . 0.0 110.234 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -54.87 -17.57 3.78 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.224 -0.923 . . . . 0.0 110.188 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -135.73 80.76 0.3 Allowed Glycine 0 N--CA 1.49 2.271 0 N-CA-C 109.492 -1.443 . . . . 0.0 109.492 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.512 ' HA ' ' O ' ' A' ' 12' ' ' LEU . 6.8 pt -118.39 -34.93 1.69 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.358 -1.084 . . . . 0.0 110.242 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.52 -32.48 3.4 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.366 -0.834 . . . . 0.0 110.273 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.432 ' O ' ' HB2' ' A' ' 12' ' ' LEU . 0.6 OUTLIER -90.19 -28.11 19.11 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.3 -0.875 . . . . 0.0 110.477 -179.77 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.512 ' O ' ' HA ' ' A' ' 9' ' ' ILE . 0.4 OUTLIER 179.24 -141.02 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.114 -0.991 . . . . 0.0 110.335 -179.898 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -125.27 107.56 10.84 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.271 -0.893 . . . . 0.0 110.183 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.334 0 O-C-N 119.818 -1.801 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.502 HG13 ' N ' ' A' ' 2' ' ' LEU . 23.1 pt . . . . . 0 N--CA 1.492 1.633 0 CA-C-O 121.308 0.575 . . . . 0.0 110.258 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.502 ' N ' HG13 ' A' ' 1' ' ' ILE . 19.5 mt -148.67 125.54 11.24 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.23 -0.919 . . . . 0.0 110.117 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 138.13 45.0 0.08 OUTLIER Glycine 0 N--CA 1.491 2.323 0 N-CA-C 109.581 -1.408 . . . . 0.0 109.581 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.3 ptpt -140.34 17.21 2.4 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.338 -1.095 . . . . 0.0 110.223 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 78.6 mt -47.32 -67.4 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.206 -0.934 . . . . 0.0 110.162 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.435 ' O ' ' HB2' ' A' ' 7' ' ' GLU . . . -129.02 -2.91 5.14 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.388 -0.82 . . . . 0.0 110.269 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.435 ' HB2' ' O ' ' A' ' 6' ' ' ALA . 12.5 tt0 179.84 -39.59 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.208 -0.932 . . . . 0.0 110.251 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.521 ' O ' HG23 ' A' ' 9' ' ' ILE . . . 112.63 18.86 7.25 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.657 -1.377 . . . . 0.0 109.657 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.521 HG23 ' O ' ' A' ' 8' ' ' GLY . 7.7 pt -154.29 -37.81 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 121.203 -1.175 . . . . 0.0 110.295 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.9 mttp -45.0 -73.25 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.351 -0.843 . . . . 0.0 110.274 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.0 m -66.27 -22.37 66.31 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.291 -0.88 . . . . 0.0 110.332 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.417 HD22 ' HA ' ' A' ' 12' ' ' LEU . 0.2 OUTLIER -64.84 -73.91 0.11 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.226 -0.921 . . . . 0.0 110.256 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -97.6 21.62 10.07 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.379 -0.825 . . . . 0.0 110.237 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.367 0 O-C-N 119.882 -1.761 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.429 HG13 ' O ' ' A' ' 1' ' ' ILE . 1.6 pp . . . . . 0 N--CA 1.491 1.594 0 CA-C-O 121.223 0.535 . . . . 0.0 110.225 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 1' ' ' ILE . 0.5 OUTLIER 43.5 -155.75 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.228 -0.92 . . . . 0.0 110.217 179.927 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 92.3 27.15 16.27 Favored Glycine 0 N--CA 1.49 2.253 0 N-CA-C 109.642 -1.383 . . . . 0.0 109.642 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.1 mtmt 54.34 91.28 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.179 -1.189 . . . . 0.0 110.147 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 30.0 mt -78.84 -44.37 25.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.234 -0.916 . . . . 0.0 110.27 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.61 ' HB1' ' CB ' ' A' ' 11' ' ' SER . . . -124.55 -16.72 6.21 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.341 -0.849 . . . . 0.0 110.396 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -56.65 -16.65 6.63 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.182 -0.949 . . . . 0.0 110.198 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.688 ' O ' HG23 ' A' ' 9' ' ' ILE . . . -65.17 -69.2 1.4 Allowed Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.624 -1.39 . . . . 0.0 109.624 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.688 HG23 ' O ' ' A' ' 8' ' ' GLY . 8.7 pt -158.87 -36.01 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.366 -1.079 . . . . 0.0 110.454 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 9' ' ' ILE . 12.7 mmmt -42.73 -60.37 1.6 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.32 -0.863 . . . . 0.0 110.144 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.61 ' CB ' ' HB1' ' A' ' 6' ' ' ALA . 0.4 OUTLIER -52.62 -56.51 14.88 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.231 -0.918 . . . . 0.0 110.108 179.953 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.469 HD23 ' HD2' ' A' ' 13' ' ' PHE . 0.1 OUTLIER 173.68 -74.52 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.434 -0.791 . . . . 0.0 110.116 179.899 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.469 ' HD2' HD23 ' A' ' 12' ' ' LEU . 43.1 m-85 -153.34 116.74 4.64 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.371 -0.831 . . . . 0.0 110.21 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.357 0 O-C-N 119.882 -1.761 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 25.1 pt . . . . . 0 N--CA 1.492 1.655 0 CA-C-O 121.221 0.534 . . . . 0.0 110.2 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.411 ' HA ' HD13 ' A' ' 2' ' ' LEU . 0.0 OUTLIER -141.13 71.64 1.37 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.295 -0.878 . . . . 0.0 110.203 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -167.85 -36.25 0.02 OUTLIER Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.667 -1.373 . . . . 0.0 109.667 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.3 78.91 0.07 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.278 -1.13 . . . . 0.0 110.279 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.622 ' N ' HD12 ' A' ' 5' ' ' ILE . 2.1 mp -63.58 -50.85 76.48 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.191 -0.943 . . . . 0.0 110.067 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.579 ' HB2' ' O ' ' A' ' 12' ' ' LEU . . . -155.97 18.2 0.37 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.363 -0.835 . . . . 0.0 110.364 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.513 ' CB ' ' O ' ' A' ' 6' ' ' ALA . 1.1 tt0 72.02 -54.26 0.68 Allowed 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.312 -0.867 . . . . 0.0 110.362 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.43 ' C ' HG13 ' A' ' 9' ' ' ILE . . . -158.81 -94.64 0.1 Allowed Glycine 0 N--CA 1.489 2.205 0 N-CA-C 109.545 -1.422 . . . . 0.0 109.545 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.43 HG13 ' C ' ' A' ' 8' ' ' GLY . 21.0 mt -131.31 -35.18 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.285 -1.126 . . . . 0.0 110.062 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 9' ' ' ILE . 0.3 OUTLIER -41.66 -63.09 0.76 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.479 -0.763 . . . . 0.0 110.331 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.466 ' O ' ' O ' ' A' ' 12' ' ' LEU . 0.7 OUTLIER -70.68 -9.83 58.0 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.281 -0.887 . . . . 0.0 110.222 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.579 ' O ' ' HB2' ' A' ' 6' ' ' ALA . 0.2 OUTLIER 46.07 -172.95 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.232 -0.918 . . . . 0.0 110.118 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.536 ' N ' ' CD1' ' A' ' 13' ' ' PHE . 3.8 m-30 -72.8 -150.39 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.205 -0.934 . . . . 0.0 110.172 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.351 0 O-C-N 119.899 -1.751 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.4 HG13 ' O ' ' A' ' 1' ' ' ILE . 0.8 OUTLIER . . . . . 0 N--CA 1.491 1.599 0 CA-C-O 121.213 0.53 . . . . 0.0 110.18 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.5 pp -77.37 155.12 32.12 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.238 -0.914 . . . . 0.0 110.153 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 118.2 -9.33 13.68 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.401 -1.479 . . . . 0.0 109.401 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.5 ptmt -162.46 51.54 0.2 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.292 -1.122 . . . . 0.0 110.218 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.0 mt -80.37 -31.89 13.17 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.25 -0.906 . . . . 0.0 110.077 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -130.67 12.86 5.37 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.334 -0.854 . . . . 0.0 110.131 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.57 -21.0 62.1 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.261 -0.899 . . . . 0.0 110.283 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.432 ' C ' HD13 ' A' ' 9' ' ' ILE . . . -46.72 -87.7 0.01 OUTLIER Glycine 0 N--CA 1.49 2.242 0 N-CA-C 109.619 -1.393 . . . . 0.0 109.619 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.814 ' N ' HD13 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -127.24 -32.62 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 121.315 -1.109 . . . . 0.0 110.159 -179.939 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 9' ' ' ILE . 3.5 mmtm -42.09 -59.18 1.84 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.399 -0.813 . . . . 0.0 110.079 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.418 ' O ' ' N ' ' A' ' 13' ' ' PHE . 23.7 t -63.89 -18.49 64.24 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.232 -0.918 . . . . 0.0 109.862 179.641 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.556 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 0.4 OUTLIER 56.32 -89.96 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.317 -0.864 . . . . 0.0 110.376 179.866 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.556 ' CD1' ' O ' ' A' ' 12' ' ' LEU . 5.7 m-85 -134.26 16.49 3.76 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.259 -0.901 . . . . 0.0 110.158 -179.734 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.367 0 O-C-N 119.862 -1.774 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 2.8 mp . . . . . 0 N--CA 1.492 1.65 0 CA-C-O 121.272 0.558 . . . . 0.0 110.235 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -120.43 96.11 5.0 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.235 -0.915 . . . . 0.0 110.246 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -166.29 -71.83 0.03 OUTLIER Glycine 0 N--CA 1.491 2.318 0 N-CA-C 109.53 -1.428 . . . . 0.0 109.53 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.65 52.0 3.76 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.439 -1.036 . . . . 0.0 110.203 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.403 HD12 HG23 ' A' ' 5' ' ' ILE . 12.7 mm -91.25 -50.72 12.5 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.243 -0.911 . . . . 0.0 110.2 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.464 ' O ' ' HB2' ' A' ' 10' ' ' LYS . . . -128.32 -5.06 5.44 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.395 -0.816 . . . . 0.0 110.244 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.438 ' HA ' ' HB2' ' A' ' 11' ' ' SER . 0.0 OUTLIER -68.51 -13.89 62.63 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.246 -0.908 . . . . 0.0 110.209 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.572 ' C ' HD12 ' A' ' 9' ' ' ILE . . . -43.3 -60.59 3.08 Favored Glycine 0 N--CA 1.491 2.309 0 N-CA-C 109.598 -1.401 . . . . 0.0 109.598 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.745 ' N ' HD12 ' A' ' 9' ' ' ILE . 3.3 mp -143.01 -37.21 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.415 -1.05 . . . . 0.0 110.296 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.464 ' HB2' ' O ' ' A' ' 6' ' ' ALA . 4.7 mttt -44.35 -73.17 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.307 -0.871 . . . . 0.0 110.203 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.438 ' HB2' ' HA ' ' A' ' 7' ' ' GLU . 3.5 m -61.56 -23.98 66.34 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.222 -0.924 . . . . 0.0 110.211 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.63 HD23 ' H ' ' A' ' 13' ' ' PHE . 0.3 OUTLIER -85.39 163.78 18.32 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.247 -0.908 . . . . 0.0 110.237 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.63 ' H ' HD23 ' A' ' 12' ' ' LEU . 3.9 m-30 56.59 43.49 25.53 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.19 -0.944 . . . . 0.0 110.207 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.335 0 O-C-N 119.9 -1.75 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.472 ' O ' ' N ' ' A' ' 3' ' ' GLY . 6.4 tt . . . . . 0 N--CA 1.492 1.646 0 CA-C-O 121.293 0.568 . . . . 0.0 110.137 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.423 ' HA ' HD22 ' A' ' 2' ' ' LEU . 0.8 OUTLIER -65.92 69.0 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.267 -0.896 . . . . 0.0 110.223 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 1' ' ' ILE . . . -93.38 -55.08 1.61 Allowed Glycine 0 N--CA 1.49 2.271 0 N-CA-C 109.507 -1.437 . . . . 0.0 109.507 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.427 ' HB3' ' O ' ' A' ' 3' ' ' GLY . 17.2 ttpt 56.55 60.28 3.18 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.366 -1.079 . . . . 0.0 110.264 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.6 mt -48.35 -62.8 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.218 -0.926 . . . . 0.0 109.997 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.5 ' HB3' ' HB2' ' A' ' 11' ' ' SER . . . -112.19 -26.41 8.82 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.389 -0.819 . . . . 0.0 110.068 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.475 ' HB2' ' O ' ' A' ' 6' ' ' ALA . 3.6 tp10 176.75 -75.77 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.333 -0.854 . . . . 0.0 110.098 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.931 ' C ' HD13 ' A' ' 9' ' ' ILE . . . -170.92 -35.04 0.03 OUTLIER Glycine 0 N--CA 1.489 2.23 0 N-CA-C 109.683 -1.367 . . . . 0.0 109.683 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.931 HD13 ' C ' ' A' ' 8' ' ' GLY . 3.6 mm -123.32 -23.23 2.6 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 121.202 -1.175 . . . . 0.0 110.156 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.62 -65.47 0.69 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.306 -0.871 . . . . 0.0 110.394 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.5 ' HB2' ' HB3' ' A' ' 6' ' ' ALA . 0.5 OUTLIER -84.13 13.84 4.78 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.233 -0.917 . . . . 0.0 110.348 -179.937 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.455 ' CB ' ' O ' ' A' ' 11' ' ' SER . 0.4 OUTLIER 65.6 -172.63 0.18 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.18 -0.95 . . . . 0.0 110.265 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 50.5 p90 -135.08 176.12 8.95 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.295 -0.878 . . . . 0.0 110.232 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.352 0 O-C-N 119.886 -1.758 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.56 ' C ' HD12 ' A' ' 2' ' ' LEU . 1.1 pp . . . . . 0 N--CA 1.491 1.624 0 CA-C-O 121.292 0.568 . . . . 0.0 110.198 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.56 HD12 ' C ' ' A' ' 1' ' ' ILE . 1.2 mp 59.67 103.61 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.267 -0.896 . . . . 0.0 110.24 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.455 ' O ' ' CB ' ' A' ' 4' ' ' LYS . . . -140.81 12.75 2.9 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.518 -1.433 . . . . 0.0 109.518 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.455 ' CB ' ' O ' ' A' ' 3' ' ' GLY . 0.0 OUTLIER 65.89 8.62 5.47 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.248 -1.148 . . . . 0.0 110.231 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 17.2 mt -78.28 -33.13 17.34 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.219 -0.926 . . . . 0.0 110.252 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.462 ' O ' ' CG1' ' A' ' 9' ' ' ILE . . . -82.73 -0.28 46.85 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.289 -0.882 . . . . 0.0 110.18 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.514 ' HA ' ' HB2' ' A' ' 10' ' ' LYS . 4.8 mm-40 -63.12 -19.57 64.57 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.279 -0.888 . . . . 0.0 110.209 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -58.12 -15.55 22.43 Favored Glycine 0 N--CA 1.491 2.309 0 N-CA-C 109.711 -1.356 . . . . 0.0 109.711 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.462 ' CG1' ' O ' ' A' ' 6' ' ' ALA . 7.7 pt -120.55 -36.32 1.5 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.625 0 O-C-N 121.147 -1.208 . . . . 0.0 110.238 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.514 ' HB2' ' HA ' ' A' ' 7' ' ' GLU . 0.0 OUTLIER -42.52 -42.54 3.37 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.39 -0.819 . . . . 0.0 110.238 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.442 ' O ' ' HB3' ' A' ' 12' ' ' LEU . 0.3 OUTLIER -90.03 -14.03 34.74 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.249 -0.907 . . . . 0.0 110.257 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.582 ' O ' ' CG ' ' A' ' 13' ' ' PHE . 1.1 tp 60.46 31.26 20.27 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.24 -0.912 . . . . 0.0 110.244 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.582 ' CG ' ' O ' ' A' ' 12' ' ' LEU . 30.6 p90 36.58 -156.13 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.649 -0.657 . . . . 0.0 110.718 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.339 0 O-C-N 119.859 -1.776 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.73 ' O ' HG23 ' A' ' 1' ' ' ILE . 13.6 tt . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 121.237 0.541 . . . . 0.0 110.185 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.422 ' HA ' HD12 ' A' ' 2' ' ' LEU . 1.4 tp 46.73 74.66 0.14 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.262 -0.899 . . . . 0.0 110.177 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.474 ' O ' ' CB ' ' A' ' 4' ' ' LYS . . . -138.99 46.55 0.96 Allowed Glycine 0 N--CA 1.49 2.279 0 N-CA-C 109.541 -1.424 . . . . 0.0 109.541 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.475 ' HA ' ' OE1' ' A' ' 7' ' ' GLU . 2.9 ttpp 67.25 62.82 0.45 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.356 -1.084 . . . . 0.0 110.201 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 39.1 mt -103.97 -33.03 2.99 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.264 -0.897 . . . . 0.0 110.158 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -160.57 21.32 0.14 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.368 -0.832 . . . . 0.0 110.336 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.475 ' OE1' ' HA ' ' A' ' 4' ' ' LYS . 0.5 OUTLIER -44.64 -27.8 0.53 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.227 -0.921 . . . . 0.0 110.288 -179.937 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -46.81 -24.76 2.01 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.631 -1.387 . . . . 0.0 109.631 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.408 ' O ' ' O ' ' A' ' 12' ' ' LEU . 0.7 OUTLIER -148.01 -35.17 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.174 -1.192 . . . . 0.0 110.642 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.69 -37.67 19.23 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.217 -0.927 . . . . 0.0 110.251 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.43 ' OG ' ' O ' ' A' ' 7' ' ' GLU . 0.3 OUTLIER -54.13 -27.9 36.29 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.23 -0.919 . . . . 0.0 110.244 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.586 ' HB3' ' CD2' ' A' ' 13' ' ' PHE . 0.2 OUTLIER -134.3 177.88 7.41 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.323 -0.861 . . . . 0.0 110.136 179.951 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.586 ' CD2' ' HB3' ' A' ' 12' ' ' LEU . 65.1 m-85 58.16 179.44 0.06 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.231 -0.918 . . . . 0.0 110.153 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.333 0 O-C-N 119.893 -1.754 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.451 HG22 ' O ' ' A' ' 1' ' ' ILE . 4.3 mt . . . . . 0 N--CA 1.491 1.622 0 CA-C-O 121.235 0.541 . . . . 0.0 110.208 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.401 ' HA ' HD22 ' A' ' 2' ' ' LEU . 0.5 OUTLIER -115.2 61.73 0.69 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.268 -0.895 . . . . 0.0 110.191 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.422 ' O ' ' HG3' ' A' ' 4' ' ' LYS . . . -150.18 20.92 1.09 Allowed Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.475 -1.45 . . . . 0.0 109.475 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.422 ' HG3' ' O ' ' A' ' 3' ' ' GLY . 4.4 mtmp? -150.13 78.93 1.35 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.298 -1.119 . . . . 0.0 110.197 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.4 mp -67.19 -31.62 53.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.244 -0.91 . . . . 0.0 110.231 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.454 ' O ' ' C ' ' A' ' 7' ' ' GLU . . . -170.78 28.96 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.28 -0.888 . . . . 0.0 110.189 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 6' ' ' ALA . 0.4 OUTLIER -38.79 -74.75 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.551 -0.718 . . . . 0.0 110.585 -179.891 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.729 ' O ' HG23 ' A' ' 9' ' ' ILE . . . -167.39 34.5 0.21 Allowed Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.637 -1.385 . . . . 0.0 109.637 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.729 HG23 ' O ' ' A' ' 8' ' ' GLY . 8.7 pt -159.72 -37.05 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.291 -1.123 . . . . 0.0 110.423 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.05 -24.43 67.47 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.311 -0.868 . . . . 0.0 110.276 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 11.1 m -89.84 -12.74 38.22 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.292 -0.88 . . . . 0.0 110.179 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.447 ' O ' ' HB2' ' A' ' 13' ' ' PHE . 1.5 tp -70.76 -165.56 0.12 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.242 -0.911 . . . . 0.0 110.272 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.447 ' HB2' ' O ' ' A' ' 12' ' ' LEU . 17.5 m-85 62.0 159.92 0.07 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.232 -0.917 . . . . 0.0 110.199 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.376 0 O-C-N 119.83 -1.794 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 21.0 pt . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 121.254 0.55 . . . . 0.0 110.237 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -132.41 97.08 4.0 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.245 -0.909 . . . . 0.0 110.173 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 88.8 28.45 21.28 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.536 -1.426 . . . . 0.0 109.536 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 32.5 tptt -97.8 39.57 1.21 Allowed 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.263 -1.139 . . . . 0.0 110.24 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.2 mt -105.45 -33.37 2.86 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.217 -0.927 . . . . 0.0 110.318 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.466 ' O ' ' HB2' ' A' ' 10' ' ' LYS . . . -126.84 -8.69 6.09 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.313 -0.867 . . . . 0.0 110.398 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 8' ' ' GLY . 0.0 OUTLIER -69.52 -13.52 62.38 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.22 -0.925 . . . . 0.0 110.196 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.426 ' C ' ' O ' ' A' ' 7' ' ' GLU . . . -43.76 -26.41 0.75 Allowed Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.696 -1.362 . . . . 0.0 109.696 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.412 ' O ' ' C ' ' A' ' 10' ' ' LYS . 4.1 pt -142.83 -37.43 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.238 -1.154 . . . . 0.0 110.438 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.466 ' HB2' ' O ' ' A' ' 6' ' ' ALA . 0.9 OUTLIER -43.93 -50.11 8.24 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.299 -0.876 . . . . 0.0 110.221 -179.881 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.433 ' O ' ' HB2' ' A' ' 12' ' ' LEU . 0.6 OUTLIER -67.47 -52.33 40.63 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.212 -0.93 . . . . 0.0 110.255 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.48 HD23 ' H ' ' A' ' 13' ' ' PHE . 0.4 OUTLIER -178.66 -170.68 0.21 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.389 -0.819 . . . . 0.0 110.219 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.48 ' H ' HD23 ' A' ' 12' ' ' LEU . 5.0 m-85 -75.31 150.59 38.45 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.178 -0.952 . . . . 0.0 110.156 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.311 0 O-C-N 119.838 -1.789 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 26.1 mt . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 121.245 0.545 . . . . 0.0 110.157 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 50.36 -152.5 0.17 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.231 -0.918 . . . . 0.0 110.219 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -163.49 25.13 0.2 Allowed Glycine 0 N--CA 1.49 2.292 0 N-CA-C 109.551 -1.42 . . . . 0.0 109.551 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.1 mttm 53.01 73.69 0.34 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.244 -1.15 . . . . 0.0 110.18 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 7.9 mt -126.95 -32.22 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.228 -0.92 . . . . 0.0 110.193 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -134.69 13.19 3.72 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.33 -0.856 . . . . 0.0 110.203 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.77 -24.65 3.61 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.259 -0.901 . . . . 0.0 110.269 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.405 ' O ' ' HB ' ' A' ' 9' ' ' ILE . . . 166.39 95.91 0.1 Allowed Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.49 -1.444 . . . . 0.0 109.49 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.721 ' O ' HD13 ' A' ' 9' ' ' ILE . 0.1 OUTLIER -175.44 -42.18 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.246 -1.149 . . . . 0.0 110.032 -179.923 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.559 ' N ' ' CG2' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -45.93 -39.49 8.91 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.588 -0.695 . . . . 0.0 110.082 179.945 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.455 ' O ' ' HB2' ' A' ' 12' ' ' LEU . 0.2 OUTLIER -74.17 -61.62 1.79 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.326 -0.859 . . . . 0.0 110.185 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.455 ' HB2' ' O ' ' A' ' 11' ' ' SER . 3.8 tp -179.29 57.94 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.408 -0.807 . . . . 0.0 110.135 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.439 ' HB2' ' O ' ' A' ' 12' ' ' LEU . 46.8 m-85 58.31 96.63 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.27 -0.894 . . . . 0.0 110.18 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.342 0 O-C-N 119.839 -1.788 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.426 HG22 ' H ' ' A' ' 3' ' ' GLY . 21.6 mm . . . . . 0 N--CA 1.492 1.628 0 CA-C-O 121.2 0.524 . . . . 0.0 110.217 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.1 mp -74.84 -24.92 58.67 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.303 -0.873 . . . . 0.0 110.232 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.426 ' H ' HG22 ' A' ' 1' ' ' ILE . . . 89.71 51.36 2.89 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.589 -1.404 . . . . 0.0 109.589 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.26 56.91 1.67 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.37 -1.077 . . . . 0.0 110.213 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 21.0 mm -107.19 -31.78 2.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.213 -0.929 . . . . 0.0 110.272 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -96.31 -30.02 13.66 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.296 -0.878 . . . . 0.0 110.257 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.752 ' HB3' HD11 ' A' ' 9' ' ' ILE . 0.9 OUTLIER 175.42 -30.14 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.272 -0.892 . . . . 0.0 110.129 -179.945 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.411 ' C ' HG13 ' A' ' 9' ' ' ILE . . . 88.48 78.66 1.29 Allowed Glycine 0 N--CA 1.49 2.235 0 N-CA-C 109.508 -1.437 . . . . 0.0 109.508 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.752 HD11 ' HB3' ' A' ' 7' ' ' GLU . 3.3 mt -130.98 -43.72 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.317 -1.108 . . . . 0.0 110.046 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.6 mptp? -58.37 -40.44 82.29 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.504 -0.748 . . . . 0.0 110.199 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.7 p -82.35 -30.4 30.39 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.259 -0.901 . . . . 0.0 110.179 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -79.53 -74.7 0.28 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.317 -0.864 . . . . 0.0 110.119 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -79.0 -139.43 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.357 -0.839 . . . . 0.0 110.203 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.318 0 O-C-N 119.864 -1.772 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 6.0 pt . . . . . 0 N--CA 1.491 1.614 0 CA-C-O 121.209 0.528 . . . . 0.0 110.18 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.472 ' HB2' HD11 ' A' ' 5' ' ' ILE . 0.1 OUTLIER -54.77 -88.9 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.262 -0.899 . . . . 0.0 110.228 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -151.78 -75.35 0.01 OUTLIER Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.608 -1.397 . . . . 0.0 109.608 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.418 ' HG2' ' HG3' ' A' ' 7' ' ' GLU . 1.5 mptp? -147.8 85.01 1.55 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.382 -1.069 . . . . 0.0 110.356 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.472 HD11 ' HB2' ' A' ' 2' ' ' LEU . 23.0 mt -99.32 -31.59 3.56 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.24 -0.912 . . . . 0.0 110.109 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.543 ' CB ' ' HB2' ' A' ' 10' ' ' LYS . . . -129.12 21.96 5.72 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.364 -0.835 . . . . 0.0 110.198 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.517 ' HA ' ' HB3' ' A' ' 11' ' ' SER . 0.3 OUTLIER -43.21 -26.31 0.16 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.23 -0.919 . . . . 0.0 110.253 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.762 ' O ' HG23 ' A' ' 9' ' ' ILE . . . -43.85 -29.4 1.39 Allowed Glycine 0 N--CA 1.491 2.313 0 N-CA-C 109.506 -1.438 . . . . 0.0 109.506 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.762 HG23 ' O ' ' A' ' 8' ' ' GLY . 0.7 OUTLIER -161.24 -35.7 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 121.319 -1.106 . . . . 0.0 110.423 179.934 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.543 ' HB2' ' CB ' ' A' ' 6' ' ' ALA . 7.0 tttm -54.41 -23.13 14.54 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.282 -0.886 . . . . 0.0 110.176 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.517 ' HB3' ' HA ' ' A' ' 7' ' ' GLU . 0.3 OUTLIER -83.33 -5.67 59.22 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.299 -0.876 . . . . 0.0 110.222 -179.939 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.2 mp -132.9 -50.64 0.89 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.184 -0.948 . . . . 0.0 110.257 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -119.59 157.38 28.53 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.382 -0.824 . . . . 0.0 110.138 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.318 0 O-C-N 119.854 -1.779 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.699 HD13 ' N ' ' A' ' 2' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 121.233 0.539 . . . . 0.0 110.03 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.699 ' N ' HD13 ' A' ' 1' ' ' ILE . 0.5 OUTLIER 71.03 110.03 0.06 Allowed 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.221 -0.924 . . . . 0.0 110.256 -179.829 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 76.49 48.57 9.01 Favored Glycine 0 N--CA 1.491 2.366 0 N-CA-C 109.573 -1.411 . . . . 0.0 109.573 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.6 mttp -69.32 -10.66 58.87 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.37 -1.076 . . . . 0.0 110.284 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 1.6 mp -70.84 -32.02 47.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.246 -0.909 . . . . 0.0 110.226 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.473 ' O ' ' HB3' ' A' ' 11' ' ' SER . . . -131.27 20.01 4.84 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.304 -0.872 . . . . 0.0 110.206 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -47.61 -22.94 0.56 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.259 -0.9 . . . . 0.0 110.292 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.715 ' C ' HD12 ' A' ' 9' ' ' ILE . . . -48.14 -88.65 0.01 OUTLIER Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.549 -1.421 . . . . 0.0 109.549 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.802 ' N ' HD12 ' A' ' 9' ' ' ILE . 4.0 mp -139.48 -36.21 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.332 -1.099 . . . . 0.0 110.429 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.9 mptt -46.36 -45.14 17.5 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.297 -0.877 . . . . 0.0 110.264 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.486 ' O ' HD12 ' A' ' 12' ' ' LEU . 0.3 OUTLIER -61.38 -44.57 96.94 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.257 -0.902 . . . . 0.0 110.287 -179.936 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.486 HD12 ' O ' ' A' ' 11' ' ' SER . 0.2 OUTLIER 176.14 -144.99 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.368 -0.832 . . . . 0.0 110.219 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -101.12 27.52 6.05 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.221 -0.924 . . . . 0.0 110.135 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.383 0 O-C-N 119.909 -1.744 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.447 ' O ' ' CG1' ' A' ' 1' ' ' ILE . 2.5 tt . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 121.228 0.537 . . . . 0.0 110.246 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.762 ' N ' HD23 ' A' ' 2' ' ' LEU . 2.5 pt? -161.06 -158.64 0.6 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.219 -0.925 . . . . 0.0 110.229 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.42 ' N ' ' HG ' ' A' ' 2' ' ' LEU . . . -176.78 36.66 0.09 OUTLIER Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 9.8 tttp -67.02 -7.36 22.06 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.323 -1.104 . . . . 0.0 110.287 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 58.7 mt -56.51 -45.38 82.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.303 -0.873 . . . . 0.0 110.305 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.437 ' O ' ' CB ' ' A' ' 10' ' ' LYS . . . -51.31 -41.71 60.7 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.369 -0.832 . . . . 0.0 110.336 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.434 ' O ' ' OG ' ' A' ' 11' ' ' SER . 1.8 mt-10 -68.42 -13.81 62.56 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.328 -0.858 . . . . 0.0 110.168 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.447 ' O ' HG13 ' A' ' 9' ' ' ILE . . . -72.02 -33.82 62.23 Favored Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.724 -1.351 . . . . 0.0 109.724 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.644 ' N ' HD12 ' A' ' 9' ' ' ILE . 3.0 mp -142.43 -42.2 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.296 -1.12 . . . . 0.0 110.344 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.437 ' CB ' ' O ' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -51.45 -26.0 7.38 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.376 -0.828 . . . . 0.0 110.206 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.434 ' OG ' ' O ' ' A' ' 7' ' ' GLU . 1.1 p -71.76 -14.43 62.0 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.245 -0.909 . . . . 0.0 110.148 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.2 mt -142.1 -87.08 0.16 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.23 -0.919 . . . . 0.0 110.203 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -66.4 -17.36 64.73 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.311 -0.868 . . . . 0.0 110.209 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . 0.476 ' N ' ' O ' ' A' ' 9' ' ' ILE . . . . . . . . 0 C--N 1.305 -1.368 0 O-C-N 119.904 -1.748 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.498 HG22 ' N ' ' A' ' 2' ' ' LEU . 29.3 mm . . . . . 0 N--CA 1.492 1.628 0 CA-C-O 121.233 0.54 . . . . 0.0 110.242 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.684 HD23 ' N ' ' A' ' 3' ' ' GLY . 9.7 tt -123.19 148.34 45.89 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.311 -0.868 . . . . 0.0 110.236 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.684 ' N ' HD23 ' A' ' 2' ' ' LEU . . . 96.28 -12.01 66.89 Favored Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.539 -1.424 . . . . 0.0 109.539 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.37 -28.52 1.36 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.216 -1.167 . . . . 0.0 110.176 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.509 HD12 ' H ' ' A' ' 5' ' ' ILE . 3.7 mp -74.97 -32.81 28.0 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.259 -0.901 . . . . 0.0 110.073 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.904 ' HB1' ' HB2' ' A' ' 10' ' ' LYS . . . -111.42 21.38 16.27 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.356 -0.84 . . . . 0.0 110.252 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.441 ' OE1' ' O ' ' A' ' 3' ' ' GLY . 0.5 OUTLIER -42.76 -26.3 0.12 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.234 -0.916 . . . . 0.0 110.363 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.65 ' O ' HG23 ' A' ' 9' ' ' ILE . . . -43.57 -60.8 3.13 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.614 -1.394 . . . . 0.0 109.614 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.65 HG23 ' O ' ' A' ' 8' ' ' GLY . 5.1 pt -157.85 -37.54 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.389 -1.065 . . . . 0.0 110.221 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.904 ' HB2' ' HB1' ' A' ' 6' ' ' ALA . 3.1 mttp -47.15 -40.59 16.02 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.381 -0.825 . . . . 0.0 110.185 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 44.0 t -71.98 -9.9 59.01 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.256 -0.902 . . . . 0.0 110.19 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 58.17 -175.59 0.08 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.331 -0.856 . . . . 0.0 110.184 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -75.12 57.9 0.87 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.249 -0.907 . . . . 0.0 110.194 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.376 0 O-C-N 119.881 -1.762 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_