data_2mlu_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 2mlu _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.433 ' HB2' HD12 ' A' ' 5' ' ' LEU . 22.5 mttt . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.881 0.372 . . . . 74.329999999999998 110.854 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.42 -27.99 27.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 71.409999999999997 111.122 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.422 HG13 ' HB3' ' A' ' 2' ' ' LYS . 1.4 pp -61.39 -25.79 37.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 74.439999999999998 111.108 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.433 HD12 ' HB2' ' A' ' 2' ' ' LYS . 43.3 mt -57.23 -44.94 84.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 73.510000000000005 110.9 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 72.4 mtt85 -55.46 -30.9 61.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 75.540000000000006 110.861 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -74.12 -60.45 2.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 73.450000000000003 110.872 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.4 p -57.72 -29.83 35.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 71.140000000000001 111.105 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.6 -24.36 47.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 74.310000000000002 111.118 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -86.66 -34.37 11.68 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.73 -0.748 . . . . 61.409999999999997 112.495 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -54.74 -50.02 69.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.912 0.387 . . . . 74.340000000000003 110.97 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -54.0 -28.57 38.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.08 -0.509 . . . . 75.540000000000006 110.872 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 35.9 mm -86.22 -31.84 6.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 75.349999999999994 111.112 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.8 -25.54 60.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 70.439999999999998 111.076 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.433 . . . . 72.310000000000002 110.865 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.435 ' HB2' HD11 ' A' ' 5' ' ' LEU . 18.9 mttt . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.866 0.365 . . . . 74.329999999999998 110.89 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.5 -27.87 27.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 71.409999999999997 111.097 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.422 HG13 ' HB3' ' A' ' 2' ' ' LYS . 1.4 pp -61.48 -25.71 37.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 74.439999999999998 111.137 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.435 HD11 ' HB2' ' A' ' 2' ' ' LYS . 43.1 mt -57.31 -44.93 84.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 73.510000000000005 110.922 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 62.5 mtt-85 -55.41 -30.87 61.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 75.540000000000006 110.875 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -74.08 -60.51 2.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 73.450000000000003 110.883 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.5 p -57.68 -29.84 35.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.175 -0.466 . . . . 71.140000000000001 111.105 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.64 -24.29 47.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.43 . . . . 74.310000000000002 111.109 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -88.16 -35.71 8.72 Favored Glycine 0 C--N 1.331 0.265 0 C-N-CA 120.662 -0.78 . . . . 61.409999999999997 112.435 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 16.2 t80 -53.66 -45.73 70.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.879 0.371 . . . . 74.340000000000003 110.899 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -58.29 -28.64 65.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.066 -0.515 . . . . 75.540000000000006 110.863 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.7 mm -85.62 -33.56 7.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 75.349999999999994 111.087 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.47 -26.53 60.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 70.439999999999998 111.109 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 17.1 t . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 72.310000000000002 110.831 -179.758 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.435 ' HB2' HD12 ' A' ' 5' ' ' LEU . 2.4 mtmm . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.882 0.372 . . . . 74.329999999999998 110.887 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.38 -28.01 27.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 71.409999999999997 111.143 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.423 HG13 ' HB3' ' A' ' 2' ' ' LYS . 1.4 pp -61.3 -25.92 37.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 74.439999999999998 111.153 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.435 HD12 ' HB2' ' A' ' 2' ' ' LYS . 43.0 mt -57.09 -44.97 83.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 73.510000000000005 110.876 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 50.0 mtt-85 -55.43 -31.0 61.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 75.540000000000006 110.833 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -74.06 -60.47 2.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 73.450000000000003 110.93 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.3 p -57.71 -29.69 35.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 71.140000000000001 111.13 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.68 -24.29 47.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 74.310000000000002 111.068 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -86.86 -31.96 16.33 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.76 -0.733 . . . . 61.409999999999997 112.45 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 16.1 t80 -55.75 -45.75 77.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.84 0.352 . . . . 74.340000000000003 110.9 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -56.29 -30.12 62.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.061 -0.518 . . . . 75.540000000000006 110.873 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 30.3 mm -85.35 -30.54 6.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 75.349999999999994 111.163 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.16 -27.31 60.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 70.439999999999998 111.105 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.8 t . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.428 . . . . 72.310000000000002 110.797 -179.805 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.436 ' HB2' HD13 ' A' ' 5' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.841 0.353 . . . . 74.329999999999998 110.919 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.44 -27.88 27.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 71.409999999999997 111.131 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.421 HG13 ' HB3' ' A' ' 2' ' ' LYS . 1.4 pp -61.4 -25.9 37.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 74.439999999999998 111.085 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.436 HD13 ' HB2' ' A' ' 2' ' ' LYS . 43.2 mt -57.15 -44.91 83.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 73.510000000000005 110.981 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.6 mtp85 -55.41 -31.0 61.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 75.540000000000006 110.811 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -74.09 -60.42 2.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 73.450000000000003 110.884 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.2 p -57.61 -29.96 35.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 71.140000000000001 111.143 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.56 -24.33 46.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 74.310000000000002 111.055 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -87.86 -33.61 10.92 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.753 -0.737 . . . . 61.409999999999997 112.463 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 18.0 t80 -53.99 -46.9 71.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.888 0.375 . . . . 74.340000000000003 110.926 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -58.22 -27.95 64.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 75.540000000000006 110.845 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.8 mm -85.01 -35.81 10.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 75.349999999999994 111.138 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.28 -25.72 60.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 70.439999999999998 111.11 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.438 . . . . 72.310000000000002 110.85 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.432 ' HB2' HD13 ' A' ' 5' ' ' LEU . 55.0 mttt . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.852 0.358 . . . . 74.329999999999998 110.917 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.4 -27.93 26.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 71.409999999999997 111.173 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.421 HG13 ' HB3' ' A' ' 2' ' ' LYS . 1.4 pp -61.5 -25.75 37.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 74.439999999999998 111.151 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.432 HD13 ' HB2' ' A' ' 2' ' ' LYS . 42.9 mt -57.11 -44.97 83.78 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.2 -0.454 . . . . 73.510000000000005 110.916 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.6 mtt180 -55.5 -30.92 61.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 75.540000000000006 110.836 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -74.07 -60.49 2.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 73.450000000000003 110.918 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.2 p -57.65 -29.77 35.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.061 -0.518 . . . . 71.140000000000001 111.2 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.77 -24.26 48.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 74.310000000000002 111.062 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -87.84 -37.06 8.08 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.719 -0.753 . . . . 61.409999999999997 112.474 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -53.99 -46.55 71.75 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.956 0.408 . . . . 74.340000000000003 110.959 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -57.23 -29.66 63.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.094 -0.503 . . . . 75.540000000000006 110.86 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 30.8 mm -85.58 -30.92 6.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 75.349999999999994 111.118 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.93 -25.7 61.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 70.439999999999998 111.148 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 72.310000000000002 110.836 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.429 ' HB2' HD12 ' A' ' 5' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.878 0.371 . . . . 74.329999999999998 110.874 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.5 -27.84 27.7 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.258 -0.428 . . . . 71.409999999999997 111.154 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.42 HG13 ' HB3' ' A' ' 2' ' ' LYS . 1.4 pp -61.49 -25.77 37.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 74.439999999999998 111.123 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.429 HD12 ' HB2' ' A' ' 2' ' ' LYS . 42.9 mt -57.2 -44.98 84.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.129 -0.487 . . . . 73.510000000000005 110.913 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.1 mtp85 -55.45 -30.89 61.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 75.540000000000006 110.889 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -74.13 -60.49 2.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 73.450000000000003 110.892 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.2 p -57.67 -29.82 35.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 71.140000000000001 111.138 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.66 -24.3 47.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.489 . . . . 74.310000000000002 111.095 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -87.67 -38.76 7.41 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.754 -0.736 . . . . 61.409999999999997 112.475 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 12.4 t80 -53.65 -47.15 70.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.855 0.359 . . . . 74.340000000000003 110.963 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -56.77 -28.16 60.81 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.084 -0.507 . . . . 75.540000000000006 110.809 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.4 mm -85.62 -34.13 8.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.193 -0.458 . . . . 75.349999999999994 111.132 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.08 -27.18 62.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 70.439999999999998 111.115 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 12.1 t . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.237 -0.438 . . . . 72.310000000000002 110.879 -179.777 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.43 ' HB2' HD12 ' A' ' 5' ' ' LEU . 11.4 mttm . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.902 0.382 . . . . 74.329999999999998 110.879 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.45 -27.95 27.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 71.409999999999997 111.102 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.419 HG13 ' HB3' ' A' ' 2' ' ' LYS . 1.4 pp -61.32 -25.92 37.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.252 -0.431 . . . . 74.439999999999998 111.169 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.43 HD12 ' HB2' ' A' ' 2' ' ' LYS . 42.8 mt -57.18 -44.93 84.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 73.510000000000005 110.9 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 27.6 mtm-85 -55.42 -30.96 61.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 75.540000000000006 110.878 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -74.09 -60.52 2.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 73.450000000000003 110.818 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.2 p -57.65 -29.85 35.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 71.140000000000001 111.09 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.72 -24.21 47.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 74.310000000000002 111.096 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -88.63 -36.17 8.09 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.732 -0.746 . . . . 61.409999999999997 112.481 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -54.21 -47.43 72.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.937 0.398 . . . . 74.340000000000003 110.965 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -57.15 -29.51 63.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.068 -0.514 . . . . 75.540000000000006 110.857 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 33.9 mm -83.87 -31.91 8.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 75.349999999999994 111.057 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.32 -25.81 61.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 70.439999999999998 111.138 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.0 t . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 72.310000000000002 110.864 -179.817 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.429 ' HB2' HD11 ' A' ' 5' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.834 0.35 . . . . 74.329999999999998 110.941 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.4 -27.97 27.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.441 . . . . 71.409999999999997 111.133 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.419 HG13 ' HB3' ' A' ' 2' ' ' LYS . 1.4 pp -61.39 -25.83 37.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 74.439999999999998 111.157 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.429 HD11 ' HB2' ' A' ' 2' ' ' LYS . 42.9 mt -57.19 -44.82 83.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 73.510000000000005 110.977 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 8.6 mtp180 -55.53 -30.92 61.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 75.540000000000006 110.83 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -74.1 -60.45 2.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 73.450000000000003 110.886 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.3 p -57.74 -29.84 35.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.105 -0.498 . . . . 71.140000000000001 111.097 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.6 -24.28 46.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 74.310000000000002 111.11 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -86.53 -31.59 18.41 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.768 -0.729 . . . . 61.409999999999997 112.416 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 23.3 t80 -58.49 -49.88 75.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.944 0.402 . . . . 74.340000000000003 110.965 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -56.25 -28.68 59.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 75.540000000000006 110.833 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 43.7 mm -84.47 -32.69 8.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 75.349999999999994 111.106 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.18 -26.43 60.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 70.439999999999998 111.164 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 18.1 m . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 72.310000000000002 110.904 -179.843 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.43 ' HB2' HD12 ' A' ' 5' ' ' LEU . 44.8 mtmt . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.851 0.357 . . . . 74.329999999999998 110.862 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.56 -27.83 28.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 71.409999999999997 111.114 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.42 HG13 ' HB3' ' A' ' 2' ' ' LYS . 1.4 pp -61.55 -25.79 37.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 74.439999999999998 111.107 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.43 HD12 ' HB2' ' A' ' 2' ' ' LYS . 43.4 mt -57.13 -45.02 83.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 73.510000000000005 110.865 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.1 mtp85 -55.37 -30.96 61.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 75.540000000000006 110.878 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -74.19 -60.42 2.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 73.450000000000003 110.843 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.3 p -57.71 -29.89 35.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 71.140000000000001 111.072 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.56 -24.35 46.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.44 . . . . 74.310000000000002 111.108 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -87.41 -36.34 8.85 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.744 -0.741 . . . . 61.409999999999997 112.424 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 16.9 t80 -53.78 -47.9 70.31 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.93 0.395 . . . . 74.340000000000003 110.892 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -56.36 -30.02 62.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.495 . . . . 75.540000000000006 110.88 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 35.8 mm -85.74 -31.33 6.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.443 . . . . 75.349999999999994 111.124 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.39 -29.32 63.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.472 . . . . 70.439999999999998 111.147 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 15.3 m . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 72.310000000000002 110.855 -179.802 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.435 ' HB2' HD13 ' A' ' 5' ' ' LEU . 28.3 mtmt . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.87 0.367 . . . . 74.329999999999998 110.875 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.45 -27.86 27.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 71.409999999999997 111.11 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.422 HG13 ' HB3' ' A' ' 2' ' ' LYS . 1.4 pp -61.53 -25.79 37.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.293 -0.412 . . . . 74.439999999999998 111.101 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.435 HD13 ' HB2' ' A' ' 2' ' ' LYS . 42.7 mt -57.13 -44.89 83.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 73.510000000000005 110.932 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.1 mtt-85 -55.51 -30.96 61.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.464 . . . . 75.540000000000006 110.878 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -74.11 -60.43 2.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 73.450000000000003 110.907 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.2 p -57.61 -29.95 35.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 71.140000000000001 111.115 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.63 -24.26 46.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 74.310000000000002 111.081 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -86.21 -31.51 19.59 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.754 -0.736 . . . . 61.409999999999997 112.477 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -56.55 -48.69 76.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.85 0.357 . . . . 74.340000000000003 110.911 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -55.96 -28.68 58.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.088 -0.506 . . . . 75.540000000000006 110.893 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 33.5 mm -84.28 -35.02 10.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 75.349999999999994 111.113 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.28 -25.29 63.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 70.439999999999998 111.104 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 30.9 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 72.310000000000002 110.863 -179.789 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.432 ' HB2' HD11 ' A' ' 5' ' ' LEU . 41.6 mmtt . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.867 0.365 . . . . 74.329999999999998 110.851 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.41 -27.98 27.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.289 -0.414 . . . . 71.409999999999997 111.173 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.42 HG13 ' HB3' ' A' ' 2' ' ' LYS . 1.4 pp -61.44 -25.79 37.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.453 . . . . 74.439999999999998 111.133 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.432 HD11 ' HB2' ' A' ' 2' ' ' LYS . 42.3 mt -57.15 -44.96 83.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 73.510000000000005 110.996 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 85.3 mtt180 -55.44 -30.9 61.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 75.540000000000006 110.876 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -74.11 -60.45 2.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 73.450000000000003 110.899 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.2 p -57.69 -29.84 35.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.096 -0.502 . . . . 71.140000000000001 111.152 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.57 -24.39 46.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 74.310000000000002 111.102 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -85.55 -36.27 10.83 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.753 -0.737 . . . . 61.409999999999997 112.516 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -54.14 -47.82 71.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.946 0.403 . . . . 74.340000000000003 110.936 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -56.58 -28.88 61.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.077 -0.51 . . . . 75.540000000000006 110.829 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 32.5 mm -86.15 -30.33 6.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 75.349999999999994 111.116 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.53 -27.3 62.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 70.439999999999998 111.061 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 72.310000000000002 110.892 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.438 ' HB2' HD12 ' A' ' 5' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.919 0.39 . . . . 74.329999999999998 110.905 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.5 -27.9 28.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.255 -0.43 . . . . 71.409999999999997 111.11 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.427 HG13 ' HB3' ' A' ' 2' ' ' LYS . 1.4 pp -61.56 -25.64 37.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 74.439999999999998 111.178 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.438 HD12 ' HB2' ' A' ' 2' ' ' LYS . 43.4 mt -57.35 -44.86 84.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 73.510000000000005 110.914 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 31.6 mtp85 -55.46 -30.92 61.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.204 -0.453 . . . . 75.540000000000006 110.844 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -74.12 -60.39 2.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 73.450000000000003 110.916 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.4 p -57.77 -29.89 36.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 71.140000000000001 111.067 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.47 -24.38 45.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 74.310000000000002 111.139 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -86.1 -34.12 13.39 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.811 -0.709 . . . . 61.409999999999997 112.534 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 13.9 t80 -54.27 -46.77 72.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.937 0.398 . . . . 74.340000000000003 110.965 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -55.68 -29.33 59.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 75.540000000000006 110.819 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 30.2 mm -85.92 -33.44 7.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 75.349999999999994 111.153 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.73 -25.44 63.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 70.439999999999998 111.079 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 74.5 m . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 72.310000000000002 110.892 -179.83 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.429 ' HB2' HD12 ' A' ' 5' ' ' LEU . 4.2 mttm . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.882 0.372 . . . . 74.329999999999998 110.92 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.4 -27.88 26.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 71.409999999999997 111.187 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.416 HG13 ' HB3' ' A' ' 2' ' ' LYS . 1.4 pp -61.5 -25.76 37.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 74.439999999999998 111.13 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.429 HD12 ' HB2' ' A' ' 2' ' ' LYS . 42.8 mt -57.16 -45.0 83.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.436 . . . . 73.510000000000005 110.902 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 29.9 mtt180 -55.35 -30.98 61.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 75.540000000000006 110.906 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -74.15 -60.42 2.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 73.450000000000003 110.897 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.3 p -57.75 -29.77 35.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 71.140000000000001 111.117 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.61 -24.36 47.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.247 -0.433 . . . . 74.310000000000002 111.087 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -85.06 -35.27 12.74 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.779 -0.724 . . . . 61.409999999999997 112.446 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -54.48 -45.83 73.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.931 0.396 . . . . 74.340000000000003 110.943 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -60.03 -28.93 68.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 75.540000000000006 110.857 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 35.4 mm -82.85 -35.33 12.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 75.349999999999994 111.136 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.54 -25.27 61.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 70.439999999999998 111.068 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.8 t . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 72.310000000000002 110.892 -179.776 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.433 ' HB2' HD13 ' A' ' 5' ' ' LEU . 1.1 mmpt? . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.901 0.382 . . . . 74.329999999999998 110.923 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.15 -28.25 25.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.236 -0.438 . . . . 71.409999999999997 111.089 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.425 HG13 ' HB3' ' A' ' 2' ' ' LYS . 1.5 pp -60.7 -26.53 38.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.43 . . . . 74.439999999999998 111.093 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.433 HD13 ' HB2' ' A' ' 2' ' ' LYS . 44.8 mt -56.63 -44.89 81.68 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.231 -0.44 . . . . 73.510000000000005 110.856 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 14.7 mtp85 -55.51 -31.27 61.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 75.540000000000006 110.853 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -73.97 -60.48 2.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 73.450000000000003 110.966 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.3 p -57.63 -29.79 35.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.093 -0.503 . . . . 71.140000000000001 111.153 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.6 -24.31 46.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 74.310000000000002 111.112 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -86.89 -35.22 10.15 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.696 -0.764 . . . . 61.409999999999997 112.509 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -53.87 -47.8 70.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.948 0.404 . . . . 74.340000000000003 111.01 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -57.11 -28.78 62.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.066 -0.515 . . . . 75.540000000000006 110.901 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 33.4 mm -84.53 -30.83 7.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 75.349999999999994 111.186 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.69 -27.11 62.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 70.439999999999998 111.153 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 50.8 m . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 72.310000000000002 110.859 -179.876 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.432 ' HB2' HD11 ' A' ' 5' ' ' LEU . 11.9 mttp . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.814 0.34 . . . . 74.329999999999998 110.909 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.07 -28.29 24.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.28 -0.418 . . . . 71.409999999999997 111.16 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.422 HG13 ' HB3' ' A' ' 2' ' ' LYS . 1.4 pp -60.76 -26.46 38.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 74.439999999999998 111.108 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.432 HD11 ' HB2' ' A' ' 2' ' ' LYS . 43.6 mt -56.64 -44.89 81.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.191 -0.459 . . . . 73.510000000000005 110.976 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 19.1 mmm180 -55.5 -31.2 61.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 75.540000000000006 110.903 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -74.04 -60.5 2.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 73.450000000000003 110.901 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.2 p -57.59 -29.62 34.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 71.140000000000001 111.094 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.61 -24.27 46.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 74.310000000000002 111.108 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -87.45 -33.62 11.4 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.819 -0.705 . . . . 61.409999999999997 112.503 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 16.5 t80 -55.49 -50.35 70.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.868 0.366 . . . . 74.340000000000003 110.923 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -55.63 -28.99 58.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.147 -0.479 . . . . 75.540000000000006 110.882 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 35.2 mm -84.17 -35.15 10.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.434 . . . . 75.349999999999994 111.121 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.9 -22.73 65.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 70.439999999999998 111.131 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 17.6 t . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 72.310000000000002 110.852 -179.806 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.434 ' HB2' HD12 ' A' ' 5' ' ' LEU . 5.8 mttm . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.91 0.386 . . . . 74.329999999999998 110.851 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.37 -27.98 26.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.471 . . . . 71.409999999999997 111.195 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.423 HG13 ' HB3' ' A' ' 2' ' ' LYS . 1.4 pp -61.38 -25.85 37.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 74.439999999999998 111.131 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.434 HD12 ' HB2' ' A' ' 2' ' ' LYS . 42.6 mt -57.16 -44.88 83.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 73.510000000000005 110.98 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 9.5 mtp180 -55.42 -30.98 61.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 75.540000000000006 110.866 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -74.04 -60.52 2.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 73.450000000000003 110.901 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.1 p -57.61 -29.82 35.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.134 -0.485 . . . . 71.140000000000001 111.133 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.72 -24.22 48.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 74.310000000000002 111.019 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -86.08 -35.7 10.83 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.815 -0.707 . . . . 61.409999999999997 112.431 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 12.4 t80 -54.08 -47.6 71.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.87 0.367 . . . . 74.340000000000003 110.937 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -57.19 -28.31 62.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.093 -0.503 . . . . 75.540000000000006 110.855 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 31.8 mm -84.64 -36.76 11.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 75.349999999999994 111.142 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.88 -25.62 61.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.144 -0.48 . . . . 70.439999999999998 111.091 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 63.7 m . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 72.310000000000002 110.827 -179.759 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.43 ' HB2' HD12 ' A' ' 5' ' ' LEU . 9.3 mmtt . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.857 0.36 . . . . 74.329999999999998 110.942 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.52 -27.86 28.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.274 -0.421 . . . . 71.409999999999997 111.099 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.418 HG13 ' HB3' ' A' ' 2' ' ' LYS . 1.4 pp -61.47 -25.76 37.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 74.439999999999998 111.141 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.43 HD12 ' HB2' ' A' ' 2' ' ' LYS . 42.2 mt -57.14 -45.06 83.84 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.138 -0.483 . . . . 73.510000000000005 110.95 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.4 mtp85 -55.35 -30.93 61.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.481 . . . . 75.540000000000006 110.954 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -74.12 -60.49 2.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 73.450000000000003 110.855 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.3 p -57.7 -29.83 35.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 71.140000000000001 111.165 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.66 -24.28 47.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 74.310000000000002 111.121 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -87.63 -25.14 33.59 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.8 -0.714 . . . . 61.409999999999997 112.498 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -63.83 -48.92 74.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.93 0.395 . . . . 74.340000000000003 110.916 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -57.14 -28.43 62.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.093 -0.503 . . . . 75.540000000000006 110.841 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 31.6 mm -83.35 -32.68 9.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.451 . . . . 75.349999999999994 111.104 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.97 -25.77 59.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 70.439999999999998 111.14 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 28.1 m . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.19 -0.459 . . . . 72.310000000000002 110.857 -179.806 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.405 ' HB3' HG13 ' A' ' 4' ' ' ILE . 22.9 mttm . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.889 0.376 . . . . 74.329999999999998 110.87 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.49 -18.47 33.44 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.202 -0.454 . . . . 71.409999999999997 111.164 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.405 HG13 ' HB3' ' A' ' 2' ' ' LYS . 2.7 pp -75.05 -22.22 16.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 74.439999999999998 111.072 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 21.5 mt -52.89 -48.78 66.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.461 . . . . 73.510000000000005 110.939 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.1 mtt85 -55.98 -33.26 64.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 75.540000000000006 110.896 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -74.12 -60.71 2.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 73.450000000000003 110.846 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.7 p -56.49 -27.91 25.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 71.140000000000001 111.14 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.2 -22.64 63.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 74.310000000000002 111.113 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -88.41 -26.17 28.66 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.722 -0.751 . . . . 61.409999999999997 112.508 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -64.47 -49.06 72.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.91 0.386 . . . . 74.340000000000003 110.937 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -54.97 -27.77 46.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.125 -0.489 . . . . 75.540000000000006 110.865 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 28.1 mm -85.8 -29.45 6.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 75.349999999999994 111.158 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.02 -25.23 62.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 70.439999999999998 111.115 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.4 m . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 72.310000000000002 110.88 -179.824 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.427 ' HB2' HD13 ' A' ' 5' ' ' LEU . 11.5 mttp . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.856 0.36 . . . . 74.329999999999998 110.887 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.42 -27.9 27.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 71.409999999999997 111.124 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.419 HG13 ' HB3' ' A' ' 2' ' ' LYS . 1.4 pp -61.53 -25.69 37.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.221 -0.445 . . . . 74.439999999999998 111.136 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.427 HD13 ' HB2' ' A' ' 2' ' ' LYS . 43.7 mt -57.23 -44.93 84.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 73.510000000000005 110.88 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 9.4 mtp85 -55.42 -30.93 61.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 75.540000000000006 110.966 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -74.13 -60.53 2.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 73.450000000000003 110.861 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.3 p -57.68 -29.81 35.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.137 -0.483 . . . . 71.140000000000001 111.153 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.62 -24.31 47.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 74.310000000000002 111.092 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -86.74 -34.95 10.63 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.735 -0.745 . . . . 61.409999999999997 112.428 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -54.19 -47.35 72.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.926 0.393 . . . . 74.340000000000003 110.944 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -58.12 -29.04 65.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.07 -0.514 . . . . 75.540000000000006 110.855 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 35.5 mm -84.18 -37.26 12.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 75.349999999999994 111.073 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.04 -25.91 61.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 70.439999999999998 111.016 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.263 -0.426 . . . . 72.310000000000002 110.809 -179.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.443 ' HB2' HD13 ' A' ' 5' ' ' LEU . 66.0 mttt . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.837 0.351 . . . . 74.329999999999998 110.959 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.37 -27.99 26.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 71.409999999999997 111.129 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.438 HG13 ' HB3' ' A' ' 2' ' ' LYS . 1.4 pp -61.37 -25.83 37.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 74.439999999999998 111.094 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.443 HD13 ' HB2' ' A' ' 2' ' ' LYS . 42.5 mt -57.17 -45.0 84.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 73.510000000000005 110.896 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 32.0 mtt180 -55.34 -31.01 61.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 75.540000000000006 110.879 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -74.02 -60.49 2.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 73.450000000000003 110.888 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.1 p -57.87 -29.26 35.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.066 -0.515 . . . . 71.140000000000001 111.115 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.19 -25.42 32.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 74.310000000000002 111.078 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -89.11 -26.26 26.7 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.737 -0.744 . . . . 61.409999999999997 112.45 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 20.8 t80 -59.04 -40.64 85.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.835 0.35 . . . . 74.340000000000003 110.888 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -55.49 -30.71 61.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.144 -0.48 . . . . 75.540000000000006 110.825 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.9 mp -86.84 -33.79 7.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 75.349999999999994 111.13 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.49 -26.05 62.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 70.439999999999998 111.139 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 74.9 m . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.471 . . . . 72.310000000000002 110.867 -179.805 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.2 ttm . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.82 0.343 . . . . 71.129999999999995 110.865 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.433 ' HB2' HD12 ' A' ' 5' ' ' LEU . 22.5 mttt -154.23 105.09 2.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 74.329999999999998 110.854 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.42 -27.99 27.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 71.409999999999997 111.122 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.422 HG13 ' HB3' ' A' ' 2' ' ' LYS . 1.4 pp -61.39 -25.79 37.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 74.439999999999998 111.108 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.433 HD12 ' HB2' ' A' ' 2' ' ' LYS . 43.3 mt -57.23 -44.94 84.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 73.510000000000005 110.9 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 72.4 mtt85 -55.46 -30.9 61.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 75.540000000000006 110.861 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -74.12 -60.45 2.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 73.450000000000003 110.872 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.4 p -57.72 -29.83 35.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 71.140000000000001 111.105 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.6 -24.36 47.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 74.310000000000002 111.118 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -86.66 -34.37 11.68 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.73 -0.748 . . . . 61.409999999999997 112.495 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -54.74 -50.02 69.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.912 0.387 . . . . 74.340000000000003 110.97 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -54.0 -28.57 38.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.08 -0.509 . . . . 75.540000000000006 110.872 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 35.9 mm -86.22 -31.84 6.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 75.349999999999994 111.112 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.8 -25.54 60.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 70.439999999999998 111.076 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.2 -29.04 68.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.433 . . . . 72.310000000000002 110.865 -179.793 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 66.3 m170 -93.53 -41.74 9.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.115 -0.493 . . . . 65.310000000000002 110.847 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 29.6 mmtm -59.82 -73.18 0.09 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 70.409999999999997 110.897 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.6 pttt -169.87 152.61 4.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 74.019999999999996 110.91 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.63 115.67 14.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 61.109999999999999 110.876 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -161.41 91.4 0.84 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 75.530000000000001 111.142 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 175.52 -50.77 0.12 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.738 -0.744 . . . . 63.420000000000002 112.467 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 146.93 -85.34 0.17 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.74 -0.743 . . . . 73.310000000000002 112.512 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.455 ' HB3' ' HD2' ' A' ' 24' ' ' PRO . 40.7 m-85 -123.31 156.29 63.8 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.673 0.749 . . . . 73.329999999999998 110.946 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.455 ' HD2' ' HB3' ' A' ' 23' ' ' TYR . 54.2 Cg_endo -69.76 -27.4 26.51 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.689 2.259 . . . . 74.409999999999997 112.389 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -115.16 -30.29 6.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.205 -0.452 . . . . 75.239999999999995 110.963 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.98 86.43 3.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 73.120000000000005 110.896 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.95 -27.2 43.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 74.019999999999996 110.898 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -159.03 -139.24 2.64 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.74 -0.743 . . . . 74.450000000000003 112.452 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.94 -35.35 50.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.769 0.319 . . . . 74.420000000000002 110.872 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 72.129999999999995 111.093 179.878 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 30.9 mtm . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.858 0.361 . . . . 71.129999999999995 110.895 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.435 ' HB2' HD11 ' A' ' 5' ' ' LEU . 18.9 mttt -134.99 105.13 6.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 74.329999999999998 110.89 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.5 -27.87 27.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 71.409999999999997 111.097 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.422 HG13 ' HB3' ' A' ' 2' ' ' LYS . 1.4 pp -61.48 -25.71 37.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 74.439999999999998 111.137 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.435 HD11 ' HB2' ' A' ' 2' ' ' LYS . 43.1 mt -57.31 -44.93 84.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 73.510000000000005 110.922 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 62.5 mtt-85 -55.41 -30.87 61.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 75.540000000000006 110.875 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -74.08 -60.51 2.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 73.450000000000003 110.883 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.5 p -57.68 -29.84 35.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.175 -0.466 . . . . 71.140000000000001 111.105 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.64 -24.29 47.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.43 . . . . 74.310000000000002 111.109 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -88.16 -35.71 8.72 Favored Glycine 0 C--N 1.331 0.265 0 C-N-CA 120.662 -0.78 . . . . 61.409999999999997 112.435 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 16.2 t80 -53.66 -45.73 70.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.879 0.371 . . . . 74.340000000000003 110.899 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -58.29 -28.64 65.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.066 -0.515 . . . . 75.540000000000006 110.863 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.7 mm -85.62 -33.56 7.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 75.349999999999994 111.087 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.47 -26.53 60.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 70.439999999999998 111.109 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 17.1 t -58.15 -29.39 65.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 72.310000000000002 110.831 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -85.35 -36.58 20.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 65.310000000000002 110.807 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? -61.53 -74.74 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 70.409999999999997 110.933 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.2 mttt -158.92 142.79 15.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 74.019999999999996 110.879 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -134.87 115.71 13.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 61.109999999999999 110.904 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -161.33 121.22 2.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 75.530000000000001 111.183 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 108.97 103.96 2.87 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.755 -0.736 . . . . 63.420000000000002 112.492 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -138.59 51.67 0.76 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.716 -0.754 . . . . 73.310000000000002 112.542 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.447 ' HB3' ' HD2' ' A' ' 24' ' ' PRO . 40.9 m-85 -106.65 156.26 37.47 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.682 0.753 . . . . 73.329999999999998 110.891 -179.755 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.447 ' HD2' ' HB3' ' A' ' 23' ' ' TYR . 54.3 Cg_endo -69.69 -27.45 26.78 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.73 2.286 . . . . 74.409999999999997 112.383 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -115.16 -30.28 6.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.446 . . . . 75.239999999999995 110.966 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -101.11 86.54 3.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 73.120000000000005 110.871 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -76.14 -27.47 57.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 74.019999999999996 110.846 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 153.16 171.63 20.64 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.771 -0.728 . . . . 74.450000000000003 112.475 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.2 ptmt -107.75 -27.1 10.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.765 0.317 . . . . 74.420000000000002 110.88 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 72.129999999999995 111.144 179.772 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.9 mmm . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.914 0.388 . . . . 71.129999999999995 110.892 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.435 ' HB2' HD12 ' A' ' 5' ' ' LEU . 2.4 mtmm -54.97 104.98 0.13 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 74.329999999999998 110.887 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.38 -28.01 27.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 71.409999999999997 111.143 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.423 HG13 ' HB3' ' A' ' 2' ' ' LYS . 1.4 pp -61.3 -25.92 37.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 74.439999999999998 111.153 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.435 HD12 ' HB2' ' A' ' 2' ' ' LYS . 43.0 mt -57.09 -44.97 83.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 73.510000000000005 110.876 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 50.0 mtt-85 -55.43 -31.0 61.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 75.540000000000006 110.833 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -74.06 -60.47 2.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 73.450000000000003 110.93 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.3 p -57.71 -29.69 35.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 71.140000000000001 111.13 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.68 -24.29 47.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 74.310000000000002 111.068 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -86.86 -31.96 16.33 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.76 -0.733 . . . . 61.409999999999997 112.45 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 16.1 t80 -55.75 -45.75 77.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.84 0.352 . . . . 74.340000000000003 110.9 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -56.29 -30.12 62.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.061 -0.518 . . . . 75.540000000000006 110.873 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 30.3 mm -85.35 -30.54 6.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 75.349999999999994 111.163 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.16 -27.31 60.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 70.439999999999998 111.105 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.8 t -63.85 -30.97 72.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.428 . . . . 72.310000000000002 110.797 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 20.7 m170 -104.22 25.43 10.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 65.310000000000002 110.84 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.08 -49.49 13.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 70.409999999999997 110.879 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.8 mtpt -147.95 -169.95 3.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 74.019999999999996 110.938 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.28 139.42 0.15 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 61.109999999999999 110.933 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 23.6 p -77.16 71.87 3.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 75.530000000000001 111.117 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 83.78 -77.01 2.16 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.682 -0.77 . . . . 63.420000000000002 112.433 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 101.33 57.66 0.84 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.8 -0.714 . . . . 73.310000000000002 112.469 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.455 ' HB3' ' HD2' ' A' ' 24' ' ' PRO . 40.7 m-85 -125.67 156.28 71.16 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.678 0.751 . . . . 73.329999999999998 110.93 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.455 ' HD2' ' HB3' ' A' ' 23' ' ' TYR . 54.0 Cg_endo -69.74 -27.45 26.55 Favored 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.728 2.285 . . . . 74.409999999999997 112.347 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -115.08 -30.34 6.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.221 -0.445 . . . . 75.239999999999995 110.949 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.95 86.4 3.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 73.120000000000005 110.867 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -178.14 -35.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 74.019999999999996 110.871 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -94.31 -151.24 28.01 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.795 -0.717 . . . . 74.450000000000003 112.549 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.7 pttt -73.84 -35.74 64.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.846 0.355 . . . . 74.420000000000002 110.901 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 72.129999999999995 111.174 179.849 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.5 ttp . . . . . 0 N--CA 1.457 -0.096 0 CA-C-O 120.884 0.373 . . . . 71.129999999999995 110.923 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.436 ' HB2' HD13 ' A' ' 5' ' ' LEU . 0.5 OUTLIER -137.13 105.03 5.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 74.329999999999998 110.919 179.908 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.44 -27.88 27.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 71.409999999999997 111.131 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.421 HG13 ' HB3' ' A' ' 2' ' ' LYS . 1.4 pp -61.4 -25.9 37.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 74.439999999999998 111.085 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.436 HD13 ' HB2' ' A' ' 2' ' ' LYS . 43.2 mt -57.15 -44.91 83.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 73.510000000000005 110.981 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.6 mtp85 -55.41 -31.0 61.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 75.540000000000006 110.811 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -74.09 -60.42 2.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 73.450000000000003 110.884 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.2 p -57.61 -29.96 35.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 71.140000000000001 111.143 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.56 -24.33 46.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 74.310000000000002 111.055 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -87.86 -33.61 10.92 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.753 -0.737 . . . . 61.409999999999997 112.463 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 18.0 t80 -53.99 -46.9 71.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.888 0.375 . . . . 74.340000000000003 110.926 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -58.22 -27.95 64.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 75.540000000000006 110.845 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.8 mm -85.01 -35.81 10.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 75.349999999999994 111.138 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.28 -25.72 60.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 70.439999999999998 111.11 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.76 -35.53 78.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.438 . . . . 72.310000000000002 110.85 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 10.1 m-70 -94.35 -26.45 16.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 65.310000000000002 110.938 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.08 -50.67 67.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 70.409999999999997 110.94 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.3 ttpt -149.29 115.13 5.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 74.019999999999996 110.9 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -110.58 -13.82 14.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 61.109999999999999 110.84 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.6 t -171.73 146.18 2.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 75.530000000000001 111.167 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 158.6 -104.79 0.25 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.838 -0.696 . . . . 63.420000000000002 112.538 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -173.94 -95.9 0.1 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.744 -0.741 . . . . 73.310000000000002 112.496 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.444 ' HB3' ' HD2' ' A' ' 24' ' ' PRO . 41.8 m-85 -106.5 156.35 37.2 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.722 0.772 . . . . 73.329999999999998 110.901 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.444 ' HD2' ' HB3' ' A' ' 23' ' ' TYR . 53.3 Cg_endo -69.83 -27.44 26.12 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.659 2.239 . . . . 74.409999999999997 112.316 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -115.11 -30.49 6.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.207 -0.451 . . . . 75.239999999999995 110.873 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -98.81 22.36 10.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 73.120000000000005 110.83 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.9 tmm_? -52.86 -29.08 26.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 74.019999999999996 110.886 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 163.28 54.11 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.768 -0.729 . . . . 74.450000000000003 112.539 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 30.2 pttt -69.56 -28.75 66.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.802 0.334 . . . . 74.420000000000002 110.921 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 72.129999999999995 111.091 179.816 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.854 0.359 . . . . 71.129999999999995 110.865 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.432 ' HB2' HD13 ' A' ' 5' ' ' LEU . 55.0 mttt -116.29 105.13 12.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 74.329999999999998 110.917 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.4 -27.93 26.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 71.409999999999997 111.173 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.421 HG13 ' HB3' ' A' ' 2' ' ' LYS . 1.4 pp -61.5 -25.75 37.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 74.439999999999998 111.151 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.432 HD13 ' HB2' ' A' ' 2' ' ' LYS . 42.9 mt -57.11 -44.97 83.78 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.2 -0.454 . . . . 73.510000000000005 110.916 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.6 mtt180 -55.5 -30.92 61.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 75.540000000000006 110.836 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -74.07 -60.49 2.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 73.450000000000003 110.918 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.2 p -57.65 -29.77 35.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.061 -0.518 . . . . 71.140000000000001 111.2 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.77 -24.26 48.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 74.310000000000002 111.062 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -87.84 -37.06 8.08 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.719 -0.753 . . . . 61.409999999999997 112.474 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -53.99 -46.55 71.75 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.956 0.408 . . . . 74.340000000000003 110.959 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -57.23 -29.66 63.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.094 -0.503 . . . . 75.540000000000006 110.86 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 30.8 mm -85.58 -30.92 6.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 75.349999999999994 111.118 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.93 -25.7 61.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 70.439999999999998 111.148 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.93 -47.99 70.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 72.310000000000002 110.836 -179.738 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 31.7 p80 -84.74 -32.76 23.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.489 . . . . 65.310000000000002 110.832 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.3 ttmt -56.69 -52.51 64.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 70.409999999999997 110.946 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.66 127.82 20.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 74.019999999999996 110.943 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.4 tttp -154.19 126.56 7.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.281 -0.418 . . . . 61.109999999999999 110.903 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 15.6 p 49.7 43.85 24.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 75.530000000000001 111.12 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -96.46 -63.73 0.93 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.786 -0.721 . . . . 63.420000000000002 112.466 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 175.9 -149.99 10.4 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.713 -0.756 . . . . 73.310000000000002 112.484 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.457 ' HB3' ' HD2' ' A' ' 24' ' ' PRO . 40.7 m-85 -127.66 156.35 75.67 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.717 0.77 . . . . 73.329999999999998 110.94 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.457 ' HD2' ' HB3' ' A' ' 23' ' ' TYR . 54.5 Cg_endo -69.78 -27.38 26.42 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.684 2.256 . . . . 74.409999999999997 112.352 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -115.18 -30.31 6.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.217 -0.447 . . . . 75.239999999999995 110.893 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -101.07 86.48 3.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.292 -0.413 . . . . 73.120000000000005 110.881 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.25 -27.74 69.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 74.019999999999996 110.854 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 160.14 -151.85 22.55 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.692 -0.766 . . . . 74.450000000000003 112.476 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 38.4 mtpt -93.89 -46.54 7.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.804 0.335 . . . . 74.420000000000002 110.872 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 72.129999999999995 111.032 179.818 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.827 0.346 . . . . 71.129999999999995 110.859 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.429 ' HB2' HD12 ' A' ' 5' ' ' LEU . 1.0 OUTLIER -58.58 105.18 0.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.273 -0.422 . . . . 74.329999999999998 110.874 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.5 -27.84 27.7 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.258 -0.428 . . . . 71.409999999999997 111.154 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.42 HG13 ' HB3' ' A' ' 2' ' ' LYS . 1.4 pp -61.49 -25.77 37.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 74.439999999999998 111.123 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.429 HD12 ' HB2' ' A' ' 2' ' ' LYS . 42.9 mt -57.2 -44.98 84.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.129 -0.487 . . . . 73.510000000000005 110.913 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.1 mtp85 -55.45 -30.89 61.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 75.540000000000006 110.889 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -74.13 -60.49 2.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 73.450000000000003 110.892 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.2 p -57.67 -29.82 35.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 71.140000000000001 111.138 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.66 -24.3 47.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.489 . . . . 74.310000000000002 111.095 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -87.67 -38.76 7.41 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.754 -0.736 . . . . 61.409999999999997 112.475 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 12.4 t80 -53.65 -47.15 70.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.855 0.359 . . . . 74.340000000000003 110.963 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -56.77 -28.16 60.81 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.084 -0.507 . . . . 75.540000000000006 110.809 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.4 mm -85.62 -34.13 8.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.193 -0.458 . . . . 75.349999999999994 111.132 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.08 -27.18 62.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 70.439999999999998 111.115 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 12.1 t -53.74 -34.89 60.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.237 -0.438 . . . . 72.310000000000002 110.879 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -80.16 -36.81 34.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 65.310000000000002 110.876 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 26.6 ttpt -52.24 -61.78 2.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.462 . . . . 70.409999999999997 110.855 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.2 tttp -167.79 134.27 2.1 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.261 -0.427 . . . . 74.019999999999996 110.927 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.24 -13.88 62.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.215 -0.448 . . . . 61.109999999999999 110.923 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 16.6 p -136.24 81.16 1.87 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 75.530000000000001 111.213 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -171.2 52.43 0.19 Allowed Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.731 -0.747 . . . . 63.420000000000002 112.489 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 104.76 115.16 4.05 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.697 -0.763 . . . . 73.310000000000002 112.491 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.452 ' HB3' ' HD2' ' A' ' 24' ' ' PRO . 41.5 m-85 -112.09 156.26 42.17 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.597 0.713 . . . . 73.329999999999998 110.899 -179.738 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.452 ' HD2' ' HB3' ' A' ' 23' ' ' TYR . 54.0 Cg_endo -69.71 -27.5 26.62 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.709 2.272 . . . . 74.409999999999997 112.307 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -115.08 -30.38 6.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.245 -0.434 . . . . 75.239999999999995 110.947 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.91 86.47 3.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 73.120000000000005 110.913 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.7 tmm_? -144.88 112.31 6.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 74.019999999999996 110.88 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 98.62 78.89 1.42 Allowed Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.748 -0.739 . . . . 74.450000000000003 112.503 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.36 -27.61 60.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.826 0.346 . . . . 74.420000000000002 110.948 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 72.129999999999995 111.13 179.806 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.817 0.341 . . . . 71.129999999999995 110.875 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.43 ' HB2' HD12 ' A' ' 5' ' ' LEU . 11.4 mttm -67.03 105.09 1.55 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 74.329999999999998 110.879 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.45 -27.95 27.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 71.409999999999997 111.102 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.419 HG13 ' HB3' ' A' ' 2' ' ' LYS . 1.4 pp -61.32 -25.92 37.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.252 -0.431 . . . . 74.439999999999998 111.169 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.43 HD12 ' HB2' ' A' ' 2' ' ' LYS . 42.8 mt -57.18 -44.93 84.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 73.510000000000005 110.9 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 27.6 mtm-85 -55.42 -30.96 61.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 75.540000000000006 110.878 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -74.09 -60.52 2.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 73.450000000000003 110.818 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.2 p -57.65 -29.85 35.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 71.140000000000001 111.09 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.72 -24.21 47.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 74.310000000000002 111.096 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -88.63 -36.17 8.09 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.732 -0.746 . . . . 61.409999999999997 112.481 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -54.21 -47.43 72.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.937 0.398 . . . . 74.340000000000003 110.965 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -57.15 -29.51 63.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.068 -0.514 . . . . 75.540000000000006 110.857 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 33.9 mm -83.87 -31.91 8.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 75.349999999999994 111.057 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.32 -25.81 61.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 70.439999999999998 111.138 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.0 t -52.93 -52.3 58.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 72.310000000000002 110.864 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 34.4 p80 -80.97 -29.75 35.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 65.310000000000002 110.788 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -57.09 -51.36 69.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 70.409999999999997 110.943 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.05 113.04 5.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 74.019999999999996 110.927 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.99 -13.93 60.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 61.109999999999999 110.866 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.2 t -139.26 121.47 15.86 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.277 -0.42 . . . . 75.530000000000001 111.11 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 131.57 59.97 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.737 -0.744 . . . . 63.420000000000002 112.482 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 142.28 156.31 6.75 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.804 -0.713 . . . . 73.310000000000002 112.489 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.449 ' HB3' ' HD2' ' A' ' 24' ' ' PRO . 40.7 m-85 -125.15 156.27 69.85 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.651 0.739 . . . . 73.329999999999998 110.936 -179.789 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.449 ' HD2' ' HB3' ' A' ' 23' ' ' TYR . 54.3 Cg_endo -69.77 -27.46 26.41 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.715 2.277 . . . . 74.409999999999997 112.354 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -115.15 -30.19 6.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.438 . . . . 75.239999999999995 110.929 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.01 86.44 3.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.279 -0.418 . . . . 73.120000000000005 110.933 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -104.22 -27.38 12.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 74.019999999999996 110.873 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 137.99 -20.83 3.2 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.751 -0.738 . . . . 74.450000000000003 112.419 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.48 -34.23 64.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.846 0.355 . . . . 74.420000000000002 110.873 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.232 0 CA-C-N 116.163 -0.472 . . . . 72.129999999999995 111.119 179.851 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.818 0.342 . . . . 71.129999999999995 110.89 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.429 ' HB2' HD11 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -120.33 105.04 10.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 74.329999999999998 110.941 179.922 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.4 -27.97 27.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.441 . . . . 71.409999999999997 111.133 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.419 HG13 ' HB3' ' A' ' 2' ' ' LYS . 1.4 pp -61.39 -25.83 37.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 74.439999999999998 111.157 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.429 HD11 ' HB2' ' A' ' 2' ' ' LYS . 42.9 mt -57.19 -44.82 83.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 73.510000000000005 110.977 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 8.6 mtp180 -55.53 -30.92 61.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 75.540000000000006 110.83 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -74.1 -60.45 2.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 73.450000000000003 110.886 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.3 p -57.74 -29.84 35.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.105 -0.498 . . . . 71.140000000000001 111.097 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.6 -24.28 46.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 74.310000000000002 111.11 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -86.53 -31.59 18.41 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.768 -0.729 . . . . 61.409999999999997 112.416 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 23.3 t80 -58.49 -49.88 75.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.944 0.402 . . . . 74.340000000000003 110.965 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -56.25 -28.68 59.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 75.540000000000006 110.833 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 43.7 mm -84.47 -32.69 8.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 75.349999999999994 111.106 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.18 -26.43 60.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 70.439999999999998 111.164 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 18.1 m -57.04 -33.1 66.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 72.310000000000002 110.904 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 24.9 m170 -101.55 -56.06 2.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 65.310000000000002 110.891 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -53.81 -63.18 1.23 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 70.409999999999997 110.935 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 62.6 77.97 0.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 74.019999999999996 110.896 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.2 tmmt? -73.12 -13.74 61.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 61.109999999999999 110.869 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -152.57 86.04 1.26 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.245 -0.434 . . . . 75.530000000000001 111.121 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -74.97 -29.76 60.3 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.72 -0.752 . . . . 63.420000000000002 112.495 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -135.87 109.57 0.75 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.779 -0.724 . . . . 73.310000000000002 112.504 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.447 ' HB3' ' HD2' ' A' ' 24' ' ' PRO . 40.8 m-85 -83.89 156.3 64.28 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.586 0.708 . . . . 73.329999999999998 110.986 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.447 ' HD2' ' HB3' ' A' ' 23' ' ' TYR . 53.2 Cg_endo -69.84 -27.36 26.17 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.719 2.279 . . . . 74.409999999999997 112.302 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -115.15 -30.35 6.35 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.255 -0.43 . . . . 75.239999999999995 110.89 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.93 86.44 3.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.276 -0.42 . . . . 73.120000000000005 110.914 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.69 -27.94 14.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 74.019999999999996 110.88 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -74.57 87.89 0.73 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.727 -0.749 . . . . 74.450000000000003 112.451 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 28.1 mtpt -64.58 -39.76 94.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.75 0.309 . . . . 74.420000000000002 110.911 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 72.129999999999995 111.11 179.841 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 ttp . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.858 0.361 . . . . 71.129999999999995 110.887 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.43 ' HB2' HD12 ' A' ' 5' ' ' LEU . 44.8 mtmt -136.95 105.23 5.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 74.329999999999998 110.862 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.56 -27.83 28.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 71.409999999999997 111.114 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.42 HG13 ' HB3' ' A' ' 2' ' ' LYS . 1.4 pp -61.55 -25.79 37.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 74.439999999999998 111.107 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.43 HD12 ' HB2' ' A' ' 2' ' ' LYS . 43.4 mt -57.13 -45.02 83.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 73.510000000000005 110.865 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.1 mtp85 -55.37 -30.96 61.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 75.540000000000006 110.878 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -74.19 -60.42 2.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 73.450000000000003 110.843 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.3 p -57.71 -29.89 35.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 71.140000000000001 111.072 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.56 -24.35 46.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.44 . . . . 74.310000000000002 111.108 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -87.41 -36.34 8.85 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.744 -0.741 . . . . 61.409999999999997 112.424 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 16.9 t80 -53.78 -47.9 70.31 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.93 0.395 . . . . 74.340000000000003 110.892 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -56.36 -30.02 62.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.495 . . . . 75.540000000000006 110.88 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 35.8 mm -85.74 -31.33 6.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.443 . . . . 75.349999999999994 111.124 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.39 -29.32 63.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.472 . . . . 70.439999999999998 111.147 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 15.3 m -53.38 -38.47 63.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 72.310000000000002 110.855 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 44.1 m170 -90.18 -38.62 13.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.133 -0.485 . . . . 65.310000000000002 110.876 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.0 ttpt -53.9 -65.53 0.55 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 70.409999999999997 110.863 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -104.57 116.54 32.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.289 -0.414 . . . . 74.019999999999996 110.9 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.11 -13.82 51.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 61.109999999999999 110.945 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.6 t -149.84 136.13 18.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.469 . . . . 75.530000000000001 111.177 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 156.34 101.1 0.18 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.748 -0.739 . . . . 63.420000000000002 112.462 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -163.07 96.83 0.14 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.715 -0.755 . . . . 73.310000000000002 112.508 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.455 ' HB3' ' HD2' ' A' ' 24' ' ' PRO . 41.5 m-85 -124.91 156.34 69.07 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.685 0.755 . . . . 73.329999999999998 110.846 -179.734 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.455 ' HD2' ' HB3' ' A' ' 23' ' ' TYR . 53.3 Cg_endo -69.88 -27.38 25.99 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.647 2.231 . . . . 74.409999999999997 112.283 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -115.2 -30.23 6.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.264 -0.426 . . . . 75.239999999999995 110.914 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -100.96 86.42 3.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.264 -0.426 . . . . 73.120000000000005 110.915 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 21.1 tpt180 -152.41 118.95 5.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 74.019999999999996 110.863 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 131.58 160.82 9.94 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.767 -0.73 . . . . 74.450000000000003 112.494 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.1 pttt -74.89 -32.92 61.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.807 0.337 . . . . 74.420000000000002 110.914 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 72.129999999999995 111.094 179.82 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.873 0.368 . . . . 71.129999999999995 110.853 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.435 ' HB2' HD13 ' A' ' 5' ' ' LEU . 28.3 mtmt -144.88 105.14 4.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 74.329999999999998 110.875 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.45 -27.86 27.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 71.409999999999997 111.11 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.422 HG13 ' HB3' ' A' ' 2' ' ' LYS . 1.4 pp -61.53 -25.79 37.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.293 -0.412 . . . . 74.439999999999998 111.101 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.435 HD13 ' HB2' ' A' ' 2' ' ' LYS . 42.7 mt -57.13 -44.89 83.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 73.510000000000005 110.932 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.1 mtt-85 -55.51 -30.96 61.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.464 . . . . 75.540000000000006 110.878 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -74.11 -60.43 2.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 73.450000000000003 110.907 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.2 p -57.61 -29.95 35.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 71.140000000000001 111.115 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.63 -24.26 46.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 74.310000000000002 111.081 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -86.21 -31.51 19.59 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.754 -0.736 . . . . 61.409999999999997 112.477 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -56.55 -48.69 76.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.85 0.357 . . . . 74.340000000000003 110.911 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -55.96 -28.68 58.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.088 -0.506 . . . . 75.540000000000006 110.893 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 33.5 mm -84.28 -35.02 10.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 75.349999999999994 111.113 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.28 -25.29 63.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 70.439999999999998 111.104 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 30.9 t -52.04 -45.25 64.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 72.310000000000002 110.863 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 22.1 p80 -95.41 -38.36 10.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.089 -0.505 . . . . 65.310000000000002 110.869 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.5 mttm -64.55 -74.12 0.11 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.192 -0.458 . . . . 70.409999999999997 110.92 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.79 98.86 3.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 74.019999999999996 110.931 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.3 tmmt? -115.17 -13.87 11.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.309 -0.405 . . . . 61.109999999999999 110.879 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 69.8 p -95.12 41.35 1.1 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 75.530000000000001 111.238 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 89.81 -78.16 1.59 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.741 -0.742 . . . . 63.420000000000002 112.499 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 91.24 113.69 1.8 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.713 -0.755 . . . . 73.310000000000002 112.467 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.461 ' HB3' ' HD2' ' A' ' 24' ' ' PRO . 40.8 m-85 -104.69 156.29 36.17 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.718 0.77 . . . . 73.329999999999998 110.877 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.461 ' HD2' ' HB3' ' A' ' 23' ' ' TYR . 54.3 Cg_endo -69.67 -27.44 26.92 Favored 'Trans proline' 0 N--CA 1.465 -0.157 0 C-N-CA 122.691 2.261 . . . . 74.409999999999997 112.399 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -115.14 -30.38 6.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.204 -0.453 . . . . 75.239999999999995 110.952 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -100.92 86.4 3.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 73.120000000000005 110.921 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -128.38 97.67 4.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.495 . . . . 74.019999999999996 110.912 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -163.77 94.84 0.12 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.755 -0.736 . . . . 74.450000000000003 112.488 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.8 ptmm? -69.81 -31.87 69.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.834 0.35 . . . . 74.420000000000002 110.903 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 72.129999999999995 111.118 179.836 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.3 tpt . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.799 0.333 . . . . 71.129999999999995 110.903 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.432 ' HB2' HD11 ' A' ' 5' ' ' LEU . 41.6 mmtt -60.35 105.15 0.39 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.304 -0.407 . . . . 74.329999999999998 110.851 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.41 -27.98 27.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.289 -0.414 . . . . 71.409999999999997 111.173 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.42 HG13 ' HB3' ' A' ' 2' ' ' LYS . 1.4 pp -61.44 -25.79 37.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.453 . . . . 74.439999999999998 111.133 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.432 HD11 ' HB2' ' A' ' 2' ' ' LYS . 42.3 mt -57.15 -44.96 83.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 73.510000000000005 110.996 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 85.3 mtt180 -55.44 -30.9 61.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 75.540000000000006 110.876 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -74.11 -60.45 2.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 73.450000000000003 110.899 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.2 p -57.69 -29.84 35.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.096 -0.502 . . . . 71.140000000000001 111.152 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.57 -24.39 46.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 74.310000000000002 111.102 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -85.55 -36.27 10.83 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.753 -0.737 . . . . 61.409999999999997 112.516 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -54.14 -47.82 71.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.946 0.403 . . . . 74.340000000000003 110.936 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -56.58 -28.88 61.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.077 -0.51 . . . . 75.540000000000006 110.829 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 32.5 mm -86.15 -30.33 6.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 75.349999999999994 111.116 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.53 -27.3 62.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 70.439999999999998 111.061 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.61 -31.9 66.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 72.310000000000002 110.892 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 -92.89 -35.02 13.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 65.310000000000002 110.844 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.0 tptt -55.11 -43.32 73.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 70.409999999999997 110.912 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.2 tptp -157.08 129.7 7.54 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.21 -0.45 . . . . 74.019999999999996 110.956 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.5 tmmt? -104.22 -13.79 16.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 61.109999999999999 110.873 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 72.8 p -121.93 75.55 1.22 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 75.530000000000001 111.151 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -102.78 22.9 35.57 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.742 -0.742 . . . . 63.420000000000002 112.511 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 166.22 -94.43 0.11 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.777 -0.725 . . . . 73.310000000000002 112.494 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.452 ' HB3' ' HD2' ' A' ' 24' ' ' PRO . 41.9 m-85 -125.95 156.32 71.78 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.593 0.711 . . . . 73.329999999999998 110.925 -179.815 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.452 ' HD2' ' HB3' ' A' ' 23' ' ' TYR . 54.2 Cg_endo -69.73 -27.41 26.67 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.611 2.207 . . . . 74.409999999999997 112.392 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -115.15 -30.28 6.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.164 -0.471 . . . . 75.239999999999995 110.963 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -100.99 86.49 3.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.137 -0.483 . . . . 73.120000000000005 110.898 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.46 -27.58 66.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 74.019999999999996 110.912 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 152.73 130.64 1.57 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.773 -0.727 . . . . 74.450000000000003 112.517 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.2 ptmm? -113.18 -34.74 5.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.753 0.311 . . . . 74.420000000000002 110.834 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 72.129999999999995 111.059 179.846 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.1 mmm . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.794 0.33 . . . . 71.129999999999995 110.885 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.438 ' HB2' HD12 ' A' ' 5' ' ' LEU . 0.5 OUTLIER -109.38 105.23 14.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 74.329999999999998 110.905 179.935 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.5 -27.9 28.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.255 -0.43 . . . . 71.409999999999997 111.11 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.427 HG13 ' HB3' ' A' ' 2' ' ' LYS . 1.4 pp -61.56 -25.64 37.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 74.439999999999998 111.178 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.438 HD12 ' HB2' ' A' ' 2' ' ' LYS . 43.4 mt -57.35 -44.86 84.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 73.510000000000005 110.914 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 31.6 mtp85 -55.46 -30.92 61.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.204 -0.453 . . . . 75.540000000000006 110.844 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -74.12 -60.39 2.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 73.450000000000003 110.916 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.4 p -57.77 -29.89 36.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 71.140000000000001 111.067 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.47 -24.38 45.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 74.310000000000002 111.139 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -86.1 -34.12 13.39 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.811 -0.709 . . . . 61.409999999999997 112.534 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 13.9 t80 -54.27 -46.77 72.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.937 0.398 . . . . 74.340000000000003 110.965 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -55.68 -29.33 59.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 75.540000000000006 110.819 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 30.2 mm -85.92 -33.44 7.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 75.349999999999994 111.153 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.73 -25.44 63.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 70.439999999999998 111.079 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 74.5 m -52.95 -34.28 54.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 72.310000000000002 110.892 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 -102.75 -43.26 5.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 65.310000000000002 110.826 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.9 mmtm -60.1 -72.33 0.11 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.256 -0.429 . . . . 70.409999999999997 110.855 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.2 98.8 9.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 74.019999999999996 110.995 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -100.2 -13.83 18.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 61.109999999999999 110.911 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.7 t -160.62 143.8 13.32 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.243 -0.435 . . . . 75.530000000000001 111.078 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -174.58 72.82 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.741 -0.742 . . . . 63.420000000000002 112.517 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -133.83 87.47 0.26 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.785 -0.721 . . . . 73.310000000000002 112.531 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.46 ' HB3' ' HD2' ' A' ' 24' ' ' PRO . 40.9 m-85 -95.97 156.24 37.39 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.68 0.752 . . . . 73.329999999999998 110.903 -179.783 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.46 ' HD2' ' HB3' ' A' ' 23' ' ' TYR . 53.7 Cg_endo -69.69 -27.38 26.85 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.663 2.242 . . . . 74.409999999999997 112.373 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -115.23 -30.29 6.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 75.239999999999995 110.869 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.99 86.56 3.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 73.120000000000005 110.875 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.15 115.69 6.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.485 . . . . 74.019999999999996 110.871 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 140.97 135.04 3.13 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.797 -0.716 . . . . 74.450000000000003 112.549 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.1 mmtp -80.97 -73.24 0.38 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.826 0.346 . . . . 74.420000000000002 110.923 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.266 -0.424 . . . . 72.129999999999995 111.062 179.821 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.823 0.344 . . . . 71.129999999999995 110.887 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.429 ' HB2' HD12 ' A' ' 5' ' ' LEU . 4.2 mttm -77.69 105.05 8.6 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.287 -0.415 . . . . 74.329999999999998 110.92 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.4 -27.88 26.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 71.409999999999997 111.187 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.416 HG13 ' HB3' ' A' ' 2' ' ' LYS . 1.4 pp -61.5 -25.76 37.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 74.439999999999998 111.13 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.429 HD12 ' HB2' ' A' ' 2' ' ' LYS . 42.8 mt -57.16 -45.0 83.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.436 . . . . 73.510000000000005 110.902 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 29.9 mtt180 -55.35 -30.98 61.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 75.540000000000006 110.906 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -74.15 -60.42 2.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 73.450000000000003 110.897 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.3 p -57.75 -29.77 35.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 71.140000000000001 111.117 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.61 -24.36 47.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.247 -0.433 . . . . 74.310000000000002 111.087 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -85.06 -35.27 12.74 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.779 -0.724 . . . . 61.409999999999997 112.446 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -54.48 -45.83 73.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.931 0.396 . . . . 74.340000000000003 110.943 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -60.03 -28.93 68.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 75.540000000000006 110.857 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 35.4 mm -82.85 -35.33 12.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 75.349999999999994 111.136 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.54 -25.27 61.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 70.439999999999998 111.068 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.8 t -64.57 -36.3 83.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 72.310000000000002 110.892 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 24.9 m170 -106.88 25.48 11.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.48 . . . . 65.310000000000002 110.905 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.7 ttmt -63.59 -51.13 66.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 70.409999999999997 110.87 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -137.6 69.76 1.4 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 74.019999999999996 110.881 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -101.67 -13.84 17.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 61.109999999999999 110.875 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.0 t -171.16 134.83 0.94 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 75.530000000000001 111.143 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 69.46 98.57 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.704 -0.76 . . . . 63.420000000000002 112.457 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -95.11 -75.99 1.3 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.706 -0.759 . . . . 73.310000000000002 112.481 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.459 ' HB3' ' HD2' ' A' ' 24' ' ' PRO . 40.8 m-85 -123.93 156.23 65.95 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.649 0.738 . . . . 73.329999999999998 110.966 -179.813 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.459 ' HD2' ' HB3' ' A' ' 23' ' ' TYR . 53.8 Cg_endo -69.71 -27.41 26.74 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.658 2.239 . . . . 74.409999999999997 112.388 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -115.17 -30.32 6.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 75.239999999999995 110.898 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -101.02 86.52 3.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.312 -0.404 . . . . 73.120000000000005 110.932 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -136.58 110.75 8.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 74.019999999999996 110.83 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -159.23 -144.73 4.04 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.81 -0.709 . . . . 74.450000000000003 112.531 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.32 -31.98 22.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.779 0.323 . . . . 74.420000000000002 110.876 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 72.129999999999995 111.109 179.82 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mtt . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.834 0.35 . . . . 71.129999999999995 110.872 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.433 ' HB2' HD13 ' A' ' 5' ' ' LEU . 1.1 mmpt? -97.41 104.05 16.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.29 -0.414 . . . . 74.329999999999998 110.923 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.15 -28.25 25.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.236 -0.438 . . . . 71.409999999999997 111.089 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.425 HG13 ' HB3' ' A' ' 2' ' ' LYS . 1.5 pp -60.7 -26.53 38.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.43 . . . . 74.439999999999998 111.093 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.433 HD13 ' HB2' ' A' ' 2' ' ' LYS . 44.8 mt -56.63 -44.89 81.68 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.231 -0.44 . . . . 73.510000000000005 110.856 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 14.7 mtp85 -55.51 -31.27 61.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 75.540000000000006 110.853 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -73.97 -60.48 2.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 73.450000000000003 110.966 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.3 p -57.63 -29.79 35.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.093 -0.503 . . . . 71.140000000000001 111.153 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.6 -24.31 46.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 74.310000000000002 111.112 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -86.89 -35.22 10.15 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.696 -0.764 . . . . 61.409999999999997 112.509 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -53.87 -47.8 70.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.948 0.404 . . . . 74.340000000000003 111.01 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -57.11 -28.78 62.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.066 -0.515 . . . . 75.540000000000006 110.901 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 33.4 mm -84.53 -30.83 7.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 75.349999999999994 111.186 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.69 -27.11 62.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 70.439999999999998 111.153 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 50.8 m -53.6 -38.49 64.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 72.310000000000002 110.859 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 46.8 m-70 -77.57 -41.58 38.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.076 -0.511 . . . . 65.310000000000002 110.851 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.94 -60.72 2.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 70.409999999999997 110.948 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.3 tttp -136.36 125.82 25.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 74.019999999999996 110.937 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -106.39 -13.82 15.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 61.109999999999999 110.829 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 41.2 p -116.42 69.44 0.75 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.252 -0.431 . . . . 75.530000000000001 111.158 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 178.74 62.36 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.8 -0.714 . . . . 63.420000000000002 112.526 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -135.3 100.23 0.35 Allowed Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.778 -0.725 . . . . 73.310000000000002 112.52 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.435 ' HB3' ' HD2' ' A' ' 24' ' ' PRO . 40.9 m-85 -114.0 156.26 44.24 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.697 0.761 . . . . 73.329999999999998 110.934 -179.807 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.435 ' HD2' ' HB3' ' A' ' 23' ' ' TYR . 53.9 Cg_endo -69.7 -27.41 26.78 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.698 2.265 . . . . 74.409999999999997 112.416 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -115.13 -30.35 6.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 75.239999999999995 110.905 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -101.03 86.48 3.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.282 -0.417 . . . . 73.120000000000005 110.864 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -78.02 -27.43 48.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.088 -0.505 . . . . 74.019999999999996 110.867 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -166.14 167.96 39.59 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.748 -0.739 . . . . 74.450000000000003 112.506 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.45 -27.0 63.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.79 0.329 . . . . 74.420000000000002 110.851 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 72.129999999999995 111.114 179.803 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 tpt . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.885 0.374 . . . . 71.129999999999995 110.829 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.432 ' HB2' HD11 ' A' ' 5' ' ' LEU . 11.9 mttp -56.9 104.09 0.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.276 -0.42 . . . . 74.329999999999998 110.909 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.07 -28.29 24.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.28 -0.418 . . . . 71.409999999999997 111.16 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.422 HG13 ' HB3' ' A' ' 2' ' ' LYS . 1.4 pp -60.76 -26.46 38.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 74.439999999999998 111.108 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.432 HD11 ' HB2' ' A' ' 2' ' ' LYS . 43.6 mt -56.64 -44.89 81.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.191 -0.459 . . . . 73.510000000000005 110.976 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 19.1 mmm180 -55.5 -31.2 61.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 75.540000000000006 110.903 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -74.04 -60.5 2.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 73.450000000000003 110.901 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.2 p -57.59 -29.62 34.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 71.140000000000001 111.094 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.61 -24.27 46.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 74.310000000000002 111.108 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -87.45 -33.62 11.4 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.819 -0.705 . . . . 61.409999999999997 112.503 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 16.5 t80 -55.49 -50.35 70.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.868 0.366 . . . . 74.340000000000003 110.923 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -55.63 -28.99 58.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.147 -0.479 . . . . 75.540000000000006 110.882 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 35.2 mm -84.17 -35.15 10.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.434 . . . . 75.349999999999994 111.121 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.9 -22.73 65.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 70.439999999999998 111.131 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 17.6 t -51.96 -41.13 61.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 72.310000000000002 110.852 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -109.3 -25.79 10.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.084 -0.507 . . . . 65.310000000000002 110.781 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.1 ttmm -75.16 -60.47 2.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 70.409999999999997 110.91 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.5 tttp -134.96 91.29 2.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.268 -0.424 . . . . 74.019999999999996 110.945 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.04 -13.9 34.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.183 -0.462 . . . . 61.109999999999999 110.881 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 14.8 t -162.05 137.97 7.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 75.530000000000001 111.177 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 172.09 -52.19 0.17 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.683 -0.77 . . . . 63.420000000000002 112.466 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 101.34 136.56 9.36 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.738 -0.744 . . . . 73.310000000000002 112.504 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.457 ' HB3' ' HD2' ' A' ' 24' ' ' PRO . 41.5 m-85 -108.04 156.32 38.51 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.606 0.717 . . . . 73.329999999999998 110.979 -179.822 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.457 ' HD2' ' HB3' ' A' ' 23' ' ' TYR . 53.6 Cg_endo -69.81 -27.35 26.36 Favored 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.689 2.259 . . . . 74.409999999999997 112.329 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -115.22 -30.22 6.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.232 -0.44 . . . . 75.239999999999995 110.886 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.13 86.52 3.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.261 -0.427 . . . . 73.120000000000005 110.865 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.8 tmm_? -62.43 -28.15 69.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 74.019999999999996 110.884 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -172.26 -141.72 3.51 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.75 -0.738 . . . . 74.450000000000003 112.509 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 28.0 mmtt -86.19 -72.67 0.49 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.759 0.314 . . . . 74.420000000000002 110.833 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 72.129999999999995 111.133 179.843 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.858 0.361 . . . . 71.129999999999995 110.842 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.434 ' HB2' HD12 ' A' ' 5' ' ' LEU . 5.8 mttm -141.24 105.02 4.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 74.329999999999998 110.851 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.37 -27.98 26.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.471 . . . . 71.409999999999997 111.195 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.423 HG13 ' HB3' ' A' ' 2' ' ' LYS . 1.4 pp -61.38 -25.85 37.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 74.439999999999998 111.131 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.434 HD12 ' HB2' ' A' ' 2' ' ' LYS . 42.6 mt -57.16 -44.88 83.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 73.510000000000005 110.98 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 9.5 mtp180 -55.42 -30.98 61.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 75.540000000000006 110.866 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -74.04 -60.52 2.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 73.450000000000003 110.901 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.1 p -57.61 -29.82 35.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.134 -0.485 . . . . 71.140000000000001 111.133 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.72 -24.22 48.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 74.310000000000002 111.019 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -86.08 -35.7 10.83 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.815 -0.707 . . . . 61.409999999999997 112.431 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 12.4 t80 -54.08 -47.6 71.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.87 0.367 . . . . 74.340000000000003 110.937 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -57.19 -28.31 62.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.093 -0.503 . . . . 75.540000000000006 110.855 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 31.8 mm -84.64 -36.76 11.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 75.349999999999994 111.142 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.88 -25.62 61.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.144 -0.48 . . . . 70.439999999999998 111.091 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 63.7 m -56.4 -29.15 61.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 72.310000000000002 110.827 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 44.9 m170 -101.9 -32.94 9.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.488 . . . . 65.310000000000002 110.843 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.6 mmmt -77.75 -72.47 0.36 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 70.409999999999997 110.851 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.27 133.59 1.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 74.019999999999996 110.867 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.2 tptm -143.75 116.76 8.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 61.109999999999999 110.893 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 14.2 t -114.54 20.01 15.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 75.530000000000001 111.174 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 77.59 -82.02 1.2 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.769 -0.729 . . . . 63.420000000000002 112.477 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 97.47 26.9 9.57 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.726 -0.75 . . . . 73.310000000000002 112.522 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.461 ' HB3' ' HD2' ' A' ' 24' ' ' PRO . 42.1 m-85 -90.21 156.31 46.26 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.725 0.774 . . . . 73.329999999999998 110.966 -179.809 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.461 ' HD2' ' HB3' ' A' ' 23' ' ' TYR . 53.9 Cg_endo -69.71 -27.47 26.67 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.724 2.283 . . . . 74.409999999999997 112.321 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -115.07 -30.69 6.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 75.239999999999995 110.931 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.85 23.84 7.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.278 -0.419 . . . . 73.120000000000005 110.921 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 15.8 tpt180 -51.67 -75.19 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.129 -0.487 . . . . 74.019999999999996 110.866 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -164.98 111.0 0.44 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.735 -0.745 . . . . 74.450000000000003 112.504 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.6 pttm -93.78 -27.36 16.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.829 0.347 . . . . 74.420000000000002 110.956 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 72.129999999999995 111.132 179.772 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.872 0.367 . . . . 71.129999999999995 110.868 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.43 ' HB2' HD12 ' A' ' 5' ' ' LEU . 9.3 mmtt -92.09 105.11 17.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.446 . . . . 74.329999999999998 110.942 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.52 -27.86 28.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.274 -0.421 . . . . 71.409999999999997 111.099 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.418 HG13 ' HB3' ' A' ' 2' ' ' LYS . 1.4 pp -61.47 -25.76 37.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 74.439999999999998 111.141 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.43 HD12 ' HB2' ' A' ' 2' ' ' LYS . 42.2 mt -57.14 -45.06 83.84 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.138 -0.483 . . . . 73.510000000000005 110.95 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.4 mtp85 -55.35 -30.93 61.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.481 . . . . 75.540000000000006 110.954 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -74.12 -60.49 2.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 73.450000000000003 110.855 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.3 p -57.7 -29.83 35.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 71.140000000000001 111.165 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.66 -24.28 47.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 74.310000000000002 111.121 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -87.63 -25.14 33.59 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.8 -0.714 . . . . 61.409999999999997 112.498 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -63.83 -48.92 74.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.93 0.395 . . . . 74.340000000000003 110.916 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -57.14 -28.43 62.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.093 -0.503 . . . . 75.540000000000006 110.841 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 31.6 mm -83.35 -32.68 9.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.451 . . . . 75.349999999999994 111.104 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.97 -25.77 59.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 70.439999999999998 111.14 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 28.1 m -56.62 -50.17 72.8 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.19 -0.459 . . . . 72.310000000000002 110.857 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 34.1 p80 -82.13 -33.88 29.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 65.310000000000002 110.914 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.4 ttpt -55.25 -40.03 70.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 70.409999999999997 110.92 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.28 141.79 5.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 74.019999999999996 110.847 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -179.32 139.65 0.15 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 61.109999999999999 110.879 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 30.8 p -146.9 -171.04 3.68 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.194 -0.457 . . . . 75.530000000000001 111.128 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -139.87 77.67 0.31 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.789 -0.719 . . . . 63.420000000000002 112.504 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 97.2 115.01 3.25 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.75 -0.738 . . . . 73.310000000000002 112.47 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.446 ' HB3' ' HD2' ' A' ' 24' ' ' PRO . 41.0 m-85 -92.84 156.29 40.86 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.757 0.789 . . . . 73.329999999999998 110.884 -179.787 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.446 ' HD2' ' HB3' ' A' ' 23' ' ' TYR . 53.4 Cg_endo -69.83 -27.34 26.24 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.66 2.24 . . . . 74.409999999999997 112.352 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -115.15 -30.34 6.36 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.185 -0.461 . . . . 75.239999999999995 110.905 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -100.94 86.46 3.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 73.120000000000005 110.896 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.4 tmm_? -98.57 -26.74 14.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 74.019999999999996 110.861 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -154.96 126.08 1.81 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.654 -0.784 . . . . 74.450000000000003 112.457 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -91.99 -27.44 17.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.772 0.32 . . . . 74.420000000000002 110.857 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.432 . . . . 72.129999999999995 111.087 179.87 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.816 0.341 . . . . 71.129999999999995 110.91 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.405 ' HB3' HG13 ' A' ' 4' ' ' ILE . 22.9 mttm -69.25 143.23 53.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 74.329999999999998 110.87 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.49 -18.47 33.44 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.202 -0.454 . . . . 71.409999999999997 111.164 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.405 HG13 ' HB3' ' A' ' 2' ' ' LYS . 2.7 pp -75.05 -22.22 16.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 74.439999999999998 111.072 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 21.5 mt -52.89 -48.78 66.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.461 . . . . 73.510000000000005 110.939 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.1 mtt85 -55.98 -33.26 64.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 75.540000000000006 110.896 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -74.12 -60.71 2.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 73.450000000000003 110.846 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.7 p -56.49 -27.91 25.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 71.140000000000001 111.14 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.2 -22.64 63.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 74.310000000000002 111.113 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -88.41 -26.17 28.66 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.722 -0.751 . . . . 61.409999999999997 112.508 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -64.47 -49.06 72.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.91 0.386 . . . . 74.340000000000003 110.937 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -54.97 -27.77 46.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.125 -0.489 . . . . 75.540000000000006 110.865 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 28.1 mm -85.8 -29.45 6.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 75.349999999999994 111.158 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.02 -25.23 62.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 70.439999999999998 111.115 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.4 m -58.13 -43.3 87.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 72.310000000000002 110.88 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 35.4 m170 -79.69 -37.75 35.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 65.310000000000002 110.811 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.5 ttpt -56.14 -35.02 66.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 70.409999999999997 110.947 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.9 tttm 61.69 91.04 0.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 74.019999999999996 110.884 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.54 -13.75 62.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 61.109999999999999 110.935 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 82.7 p -83.97 78.93 9.65 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.223 -0.444 . . . . 75.530000000000001 111.148 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 163.27 48.23 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.795 -0.716 . . . . 63.420000000000002 112.511 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -148.97 38.86 0.96 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.76 -0.733 . . . . 73.310000000000002 112.503 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.451 ' HB3' ' HD2' ' A' ' 24' ' ' PRO . 41.1 m-85 -116.53 156.33 47.66 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.739 0.78 . . . . 73.329999999999998 110.873 -179.779 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.451 ' HD2' ' HB3' ' A' ' 23' ' ' TYR . 53.9 Cg_endo -69.75 -27.41 26.56 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.605 2.203 . . . . 74.409999999999997 112.387 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -115.1 -30.35 6.37 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.2 -0.454 . . . . 75.239999999999995 110.916 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.07 86.55 3.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 73.120000000000005 110.867 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.73 -26.23 19.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.497 . . . . 74.019999999999996 110.907 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -91.64 -159.49 35.49 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.678 -0.773 . . . . 74.450000000000003 112.478 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -104.55 -31.49 9.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.815 0.34 . . . . 74.420000000000002 110.902 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.24 -0.436 . . . . 72.129999999999995 111.102 179.878 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 35.3 mtm . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.893 0.378 . . . . 71.129999999999995 110.881 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.427 ' HB2' HD13 ' A' ' 5' ' ' LEU . 11.5 mttp -122.43 104.99 9.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 74.329999999999998 110.887 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.42 -27.9 27.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 71.409999999999997 111.124 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.419 HG13 ' HB3' ' A' ' 2' ' ' LYS . 1.4 pp -61.53 -25.69 37.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.221 -0.445 . . . . 74.439999999999998 111.136 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.427 HD13 ' HB2' ' A' ' 2' ' ' LYS . 43.7 mt -57.23 -44.93 84.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 73.510000000000005 110.88 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 9.4 mtp85 -55.42 -30.93 61.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 75.540000000000006 110.966 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -74.13 -60.53 2.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 73.450000000000003 110.861 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.3 p -57.68 -29.81 35.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.137 -0.483 . . . . 71.140000000000001 111.153 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.62 -24.31 47.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 74.310000000000002 111.092 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -86.74 -34.95 10.63 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.735 -0.745 . . . . 61.409999999999997 112.428 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -54.19 -47.35 72.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.926 0.393 . . . . 74.340000000000003 110.944 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -58.12 -29.04 65.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.07 -0.514 . . . . 75.540000000000006 110.855 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 35.5 mm -84.18 -37.26 12.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 75.349999999999994 111.073 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.04 -25.91 61.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 70.439999999999998 111.016 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.74 -55.31 27.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.263 -0.426 . . . . 72.310000000000002 110.809 -179.715 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 30.8 p80 -78.1 -28.11 48.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 65.310000000000002 110.915 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.92 -67.43 0.34 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 70.409999999999997 110.989 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -96.63 71.29 2.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 74.019999999999996 110.938 179.751 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.4 tmmt? -104.91 11.13 33.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.479 . . . . 61.109999999999999 110.927 179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.1 t -166.74 138.21 3.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.426 . . . . 75.530000000000001 111.15 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 174.93 -79.87 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.734 -0.745 . . . . 63.420000000000002 112.448 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 83.44 126.53 1.19 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.776 -0.726 . . . . 73.310000000000002 112.514 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.452 ' HB3' ' HD2' ' A' ' 24' ' ' PRO . 40.5 m-85 -104.86 156.27 36.26 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.691 0.757 . . . . 73.329999999999998 110.9 -179.779 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.452 ' HD2' ' HB3' ' A' ' 23' ' ' TYR . 53.7 Cg_endo -69.75 -27.37 26.59 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.662 2.241 . . . . 74.409999999999997 112.387 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -115.15 -30.33 6.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 75.239999999999995 110.954 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -100.91 86.46 3.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 73.120000000000005 110.954 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.79 25.31 10.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 74.019999999999996 110.841 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -130.16 91.28 0.3 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.698 -0.763 . . . . 74.450000000000003 112.483 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.5 pttt -53.33 -34.18 56.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.815 0.34 . . . . 74.420000000000002 110.97 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.276 -0.42 . . . . 72.129999999999995 111.106 179.778 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.824 0.345 . . . . 71.129999999999995 110.899 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.443 ' HB2' HD13 ' A' ' 5' ' ' LEU . 66.0 mttt -146.23 105.05 3.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 74.329999999999998 110.959 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.37 -27.99 26.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 71.409999999999997 111.129 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.438 HG13 ' HB3' ' A' ' 2' ' ' LYS . 1.4 pp -61.37 -25.83 37.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 74.439999999999998 111.094 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.443 HD13 ' HB2' ' A' ' 2' ' ' LYS . 42.5 mt -57.17 -45.0 84.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 73.510000000000005 110.896 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 32.0 mtt180 -55.34 -31.01 61.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 75.540000000000006 110.879 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -74.02 -60.49 2.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 73.450000000000003 110.888 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.1 p -57.87 -29.26 35.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.066 -0.515 . . . . 71.140000000000001 111.115 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.19 -25.42 32.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 74.310000000000002 111.078 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -89.11 -26.26 26.7 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.737 -0.744 . . . . 61.409999999999997 112.45 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 20.8 t80 -59.04 -40.64 85.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.835 0.35 . . . . 74.340000000000003 110.888 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -55.49 -30.71 61.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.144 -0.48 . . . . 75.540000000000006 110.825 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.9 mp -86.84 -33.79 7.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 75.349999999999994 111.13 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.49 -26.05 62.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 70.439999999999998 111.139 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 74.9 m -56.81 -33.25 66.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.471 . . . . 72.310000000000002 110.867 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 38.7 m-70 -95.09 -42.47 8.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.082 -0.508 . . . . 65.310000000000002 110.857 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.43 -32.78 51.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 70.409999999999997 110.898 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.05 69.39 7.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 74.019999999999996 110.947 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.8 tmmt? -89.84 -13.79 35.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 61.109999999999999 110.969 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 14.2 t -137.47 20.0 2.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 75.530000000000001 111.122 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 81.15 -91.51 1.43 Allowed Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.818 -0.706 . . . . 63.420000000000002 112.521 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 95.97 34.46 5.93 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.746 -0.74 . . . . 73.310000000000002 112.445 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.445 ' HB3' ' HD2' ' A' ' 24' ' ' PRO . 40.9 m-85 -124.31 156.32 67.11 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.664 0.745 . . . . 73.329999999999998 110.942 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.445 ' HD2' ' HB3' ' A' ' 23' ' ' TYR . 53.6 Cg_endo -69.75 -27.46 26.51 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.74 2.293 . . . . 74.409999999999997 112.314 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -115.14 -30.26 6.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 75.239999999999995 110.922 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -100.99 86.52 3.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.292 -0.413 . . . . 73.120000000000005 110.849 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.9 -27.0 13.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 74.019999999999996 110.899 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 168.53 -171.83 42.81 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.713 -0.756 . . . . 74.450000000000003 112.489 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.4 mmtp -71.36 -72.85 0.2 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.779 0.323 . . . . 74.420000000000002 110.912 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 72.129999999999995 111.062 179.869 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.451 ' HB3' HG13 ' A' ' 4' ' ' ILE . 22.5 mttt . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.881 0.372 . . . . 74.33 110.854 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.42 -27.99 27.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 71.41 111.122 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.451 HG13 ' HB3' ' A' ' 2' ' ' LYS . 1.4 pp -61.39 -25.79 37.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 74.44 111.108 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 43.3 mt -57.23 -44.94 84.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 63.13 110.9 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 72.4 mtt85 -55.46 -30.9 61.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 75.54 110.861 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -74.12 -60.45 2.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 73.45 110.872 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.4 p -57.72 -29.83 35.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 55.51 111.105 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.6 -24.36 47.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 71.55 111.118 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -86.66 -34.37 11.68 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.73 -0.748 . . . . 61.41 112.495 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -54.74 -50.02 69.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.912 0.387 . . . . 72.35 110.97 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -54.0 -28.57 38.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.08 -0.509 . . . . 75.54 110.872 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 35.9 mm -86.22 -31.84 6.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 53.52 111.112 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.8 -25.54 60.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 70.44 111.076 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.433 . . . . 30.13 110.865 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.453 ' HB3' HG13 ' A' ' 4' ' ' ILE . 18.9 mttt . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.866 0.365 . . . . 74.33 110.89 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.5 -27.87 27.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 71.41 111.097 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.453 HG13 ' HB3' ' A' ' 2' ' ' LYS . 1.4 pp -61.48 -25.71 37.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 74.44 111.137 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 43.1 mt -57.31 -44.93 84.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 63.13 110.922 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 62.5 mtt-85 -55.41 -30.87 61.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 75.54 110.875 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -74.08 -60.51 2.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 73.45 110.883 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.5 p -57.68 -29.84 35.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.175 -0.466 . . . . 55.51 111.105 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.64 -24.29 47.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.43 . . . . 71.55 111.109 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -88.16 -35.71 8.72 Favored Glycine 0 C--N 1.331 0.265 0 C-N-CA 120.662 -0.78 . . . . 61.41 112.435 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 16.2 t80 -53.66 -45.73 70.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.879 0.371 . . . . 72.35 110.899 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -58.29 -28.64 65.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.066 -0.515 . . . . 75.54 110.863 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.7 mm -85.62 -33.56 7.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 53.52 111.087 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.47 -26.53 60.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 70.44 111.109 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 17.1 t . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 30.13 110.831 -179.758 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.454 ' HB3' HG13 ' A' ' 4' ' ' ILE . 2.4 mtmm . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.882 0.372 . . . . 74.33 110.887 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.38 -28.01 27.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 71.41 111.143 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.454 HG13 ' HB3' ' A' ' 2' ' ' LYS . 1.4 pp -61.3 -25.92 37.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 74.44 111.153 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 43.0 mt -57.09 -44.97 83.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 63.13 110.876 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 50.0 mtt-85 -55.43 -31.0 61.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 75.54 110.833 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -74.06 -60.47 2.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 73.45 110.93 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.3 p -57.71 -29.69 35.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 55.51 111.13 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.68 -24.29 47.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 71.55 111.068 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -86.86 -31.96 16.33 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.76 -0.733 . . . . 61.41 112.45 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 16.1 t80 -55.75 -45.75 77.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.84 0.352 . . . . 72.35 110.9 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -56.29 -30.12 62.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.061 -0.518 . . . . 75.54 110.873 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 30.3 mm -85.35 -30.54 6.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 53.52 111.163 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.16 -27.31 60.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 70.44 111.105 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.8 t . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.428 . . . . 30.13 110.797 -179.805 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.453 ' HB3' HG13 ' A' ' 4' ' ' ILE . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.841 0.353 . . . . 74.33 110.919 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.44 -27.88 27.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 71.41 111.131 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.453 HG13 ' HB3' ' A' ' 2' ' ' LYS . 1.4 pp -61.4 -25.9 37.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 74.44 111.085 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 43.2 mt -57.15 -44.91 83.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 63.13 110.981 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.6 mtp85 -55.41 -31.0 61.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 75.54 110.811 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -74.09 -60.42 2.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 73.45 110.884 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.2 p -57.61 -29.96 35.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 55.51 111.143 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.56 -24.33 46.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 71.55 111.055 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -87.86 -33.61 10.92 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.753 -0.737 . . . . 61.41 112.463 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 18.0 t80 -53.99 -46.9 71.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.888 0.375 . . . . 72.35 110.926 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -58.22 -27.95 64.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 75.54 110.845 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.8 mm -85.01 -35.81 10.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 53.52 111.138 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.28 -25.72 60.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 70.44 111.11 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.438 . . . . 30.13 110.85 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.451 ' HB3' HG13 ' A' ' 4' ' ' ILE . 55.0 mttt . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.852 0.358 . . . . 74.33 110.917 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.4 -27.93 26.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 71.41 111.173 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.451 HG13 ' HB3' ' A' ' 2' ' ' LYS . 1.4 pp -61.5 -25.75 37.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 74.44 111.151 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 42.9 mt -57.11 -44.97 83.78 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.2 -0.454 . . . . 63.13 110.916 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.6 mtt180 -55.5 -30.92 61.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 75.54 110.836 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -74.07 -60.49 2.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 73.45 110.918 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.2 p -57.65 -29.77 35.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.061 -0.518 . . . . 55.51 111.2 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.77 -24.26 48.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 71.55 111.062 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -87.84 -37.06 8.08 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.719 -0.753 . . . . 61.41 112.474 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -53.99 -46.55 71.75 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.956 0.408 . . . . 72.35 110.959 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -57.23 -29.66 63.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.094 -0.503 . . . . 75.54 110.86 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 30.8 mm -85.58 -30.92 6.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 53.52 111.118 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.93 -25.7 61.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 70.44 111.148 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 30.13 110.836 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.451 ' HB3' HG13 ' A' ' 4' ' ' ILE . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.878 0.371 . . . . 74.33 110.874 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.5 -27.84 27.7 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.258 -0.428 . . . . 71.41 111.154 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.451 HG13 ' HB3' ' A' ' 2' ' ' LYS . 1.4 pp -61.49 -25.77 37.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 74.44 111.123 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 42.9 mt -57.2 -44.98 84.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.129 -0.487 . . . . 63.13 110.913 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.1 mtp85 -55.45 -30.89 61.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 75.54 110.889 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -74.13 -60.49 2.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 73.45 110.892 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.2 p -57.67 -29.82 35.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 55.51 111.138 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.66 -24.3 47.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.489 . . . . 71.55 111.095 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -87.67 -38.76 7.41 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.754 -0.736 . . . . 61.41 112.475 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 12.4 t80 -53.65 -47.15 70.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.855 0.359 . . . . 72.35 110.963 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -56.77 -28.16 60.81 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.084 -0.507 . . . . 75.54 110.809 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.4 mm -85.62 -34.13 8.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.193 -0.458 . . . . 53.52 111.132 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.08 -27.18 62.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 70.44 111.115 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 12.1 t . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.237 -0.438 . . . . 30.13 110.879 -179.777 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.449 ' HB3' HG13 ' A' ' 4' ' ' ILE . 11.4 mttm . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.902 0.382 . . . . 74.33 110.879 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.45 -27.95 27.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 71.41 111.102 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.449 HG13 ' HB3' ' A' ' 2' ' ' LYS . 1.4 pp -61.32 -25.92 37.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.252 -0.431 . . . . 74.44 111.169 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 42.8 mt -57.18 -44.93 84.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 63.13 110.9 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 27.6 mtm-85 -55.42 -30.96 61.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 75.54 110.878 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -74.09 -60.52 2.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 73.45 110.818 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.2 p -57.65 -29.85 35.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 55.51 111.09 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.72 -24.21 47.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 71.55 111.096 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -88.63 -36.17 8.09 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.732 -0.746 . . . . 61.41 112.481 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -54.21 -47.43 72.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.937 0.398 . . . . 72.35 110.965 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -57.15 -29.51 63.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.068 -0.514 . . . . 75.54 110.857 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 33.9 mm -83.87 -31.91 8.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 53.52 111.057 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.32 -25.81 61.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 70.44 111.138 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.0 t . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 30.13 110.864 -179.817 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.448 ' HB3' HG13 ' A' ' 4' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.834 0.35 . . . . 74.33 110.941 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.4 -27.97 27.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.441 . . . . 71.41 111.133 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.448 HG13 ' HB3' ' A' ' 2' ' ' LYS . 1.4 pp -61.39 -25.83 37.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 74.44 111.157 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 42.9 mt -57.19 -44.82 83.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 63.13 110.977 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 8.6 mtp180 -55.53 -30.92 61.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 75.54 110.83 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -74.1 -60.45 2.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 73.45 110.886 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.3 p -57.74 -29.84 35.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.105 -0.498 . . . . 55.51 111.097 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.6 -24.28 46.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 71.55 111.11 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -86.53 -31.59 18.41 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.768 -0.729 . . . . 61.41 112.416 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 23.3 t80 -58.49 -49.88 75.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.944 0.402 . . . . 72.35 110.965 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -56.25 -28.68 59.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 75.54 110.833 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 43.7 mm -84.47 -32.69 8.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 53.52 111.106 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.18 -26.43 60.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 70.44 111.164 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 18.1 m . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 30.13 110.904 -179.843 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.452 ' HB3' HG13 ' A' ' 4' ' ' ILE . 44.8 mtmt . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.851 0.357 . . . . 74.33 110.862 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.56 -27.83 28.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 71.41 111.114 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.452 HG13 ' HB3' ' A' ' 2' ' ' LYS . 1.4 pp -61.55 -25.79 37.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 74.44 111.107 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 43.4 mt -57.13 -45.02 83.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 63.13 110.865 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.1 mtp85 -55.37 -30.96 61.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 75.54 110.878 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -74.19 -60.42 2.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 73.45 110.843 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.3 p -57.71 -29.89 35.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 55.51 111.072 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.56 -24.35 46.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.44 . . . . 71.55 111.108 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -87.41 -36.34 8.85 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.744 -0.741 . . . . 61.41 112.424 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 16.9 t80 -53.78 -47.9 70.31 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.93 0.395 . . . . 72.35 110.892 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -56.36 -30.02 62.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.495 . . . . 75.54 110.88 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 35.8 mm -85.74 -31.33 6.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.443 . . . . 53.52 111.124 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.39 -29.32 63.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.472 . . . . 70.44 111.147 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 15.3 m . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 30.13 110.855 -179.802 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.453 ' HB3' HG13 ' A' ' 4' ' ' ILE . 28.3 mtmt . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.87 0.367 . . . . 74.33 110.875 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.45 -27.86 27.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 71.41 111.11 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.453 HG13 ' HB3' ' A' ' 2' ' ' LYS . 1.4 pp -61.53 -25.79 37.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.293 -0.412 . . . . 74.44 111.101 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 42.7 mt -57.13 -44.89 83.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 63.13 110.932 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.1 mtt-85 -55.51 -30.96 61.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.464 . . . . 75.54 110.878 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -74.11 -60.43 2.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 73.45 110.907 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.2 p -57.61 -29.95 35.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 55.51 111.115 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.63 -24.26 46.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 71.55 111.081 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -86.21 -31.51 19.59 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.754 -0.736 . . . . 61.41 112.477 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -56.55 -48.69 76.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.85 0.357 . . . . 72.35 110.911 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -55.96 -28.68 58.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.088 -0.506 . . . . 75.54 110.893 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 33.5 mm -84.28 -35.02 10.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 53.52 111.113 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.28 -25.29 63.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 70.44 111.104 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 30.9 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 30.13 110.863 -179.789 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.45 ' HB3' HG13 ' A' ' 4' ' ' ILE . 41.6 mmtt . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.867 0.365 . . . . 74.33 110.851 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.41 -27.98 27.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.289 -0.414 . . . . 71.41 111.173 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.45 HG13 ' HB3' ' A' ' 2' ' ' LYS . 1.4 pp -61.44 -25.79 37.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.453 . . . . 74.44 111.133 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 42.3 mt -57.15 -44.96 83.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 63.13 110.996 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 85.3 mtt180 -55.44 -30.9 61.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 75.54 110.876 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -74.11 -60.45 2.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 73.45 110.899 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.2 p -57.69 -29.84 35.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.096 -0.502 . . . . 55.51 111.152 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.57 -24.39 46.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 71.55 111.102 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -85.55 -36.27 10.83 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.753 -0.737 . . . . 61.41 112.516 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -54.14 -47.82 71.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.946 0.403 . . . . 72.35 110.936 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -56.58 -28.88 61.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.077 -0.51 . . . . 75.54 110.829 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 32.5 mm -86.15 -30.33 6.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 53.52 111.116 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.53 -27.3 62.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 70.44 111.061 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 30.13 110.892 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.456 ' HB3' HG13 ' A' ' 4' ' ' ILE . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.919 0.39 . . . . 74.33 110.905 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.5 -27.9 28.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.255 -0.43 . . . . 71.41 111.11 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.456 HG13 ' HB3' ' A' ' 2' ' ' LYS . 1.4 pp -61.56 -25.64 37.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 74.44 111.178 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 43.4 mt -57.35 -44.86 84.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 63.13 110.914 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 31.6 mtp85 -55.46 -30.92 61.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.204 -0.453 . . . . 75.54 110.844 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -74.12 -60.39 2.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 73.45 110.916 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.4 p -57.77 -29.89 36.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 55.51 111.067 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.47 -24.38 45.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 71.55 111.139 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -86.1 -34.12 13.39 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.811 -0.709 . . . . 61.41 112.534 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 13.9 t80 -54.27 -46.77 72.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.937 0.398 . . . . 72.35 110.965 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -55.68 -29.33 59.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 75.54 110.819 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 30.2 mm -85.92 -33.44 7.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 53.52 111.153 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.73 -25.44 63.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 70.44 111.079 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 74.5 m . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 30.13 110.892 -179.83 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.443 ' HB3' HG13 ' A' ' 4' ' ' ILE . 4.2 mttm . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.882 0.372 . . . . 74.33 110.92 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.4 -27.88 26.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 71.41 111.187 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.443 HG13 ' HB3' ' A' ' 2' ' ' LYS . 1.4 pp -61.5 -25.76 37.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 74.44 111.13 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 42.8 mt -57.16 -45.0 83.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.436 . . . . 63.13 110.902 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 29.9 mtt180 -55.35 -30.98 61.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 75.54 110.906 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -74.15 -60.42 2.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 73.45 110.897 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.3 p -57.75 -29.77 35.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 55.51 111.117 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.61 -24.36 47.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.247 -0.433 . . . . 71.55 111.087 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -85.06 -35.27 12.74 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.779 -0.724 . . . . 61.41 112.446 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -54.48 -45.83 73.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.931 0.396 . . . . 72.35 110.943 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -60.03 -28.93 68.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 75.54 110.857 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 35.4 mm -82.85 -35.33 12.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 53.52 111.136 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.54 -25.27 61.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 70.44 111.068 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.8 t . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 30.13 110.892 -179.776 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.454 ' HB3' HG13 ' A' ' 4' ' ' ILE . 1.1 mmpt? . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.901 0.382 . . . . 74.33 110.923 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.15 -28.25 25.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.236 -0.438 . . . . 71.41 111.089 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.454 HG13 ' HB3' ' A' ' 2' ' ' LYS . 1.5 pp -60.7 -26.53 38.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.43 . . . . 74.44 111.093 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 44.8 mt -56.63 -44.89 81.68 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.231 -0.44 . . . . 63.13 110.856 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 14.7 mtp85 -55.51 -31.27 61.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 75.54 110.853 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -73.97 -60.48 2.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 73.45 110.966 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.3 p -57.63 -29.79 35.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.093 -0.503 . . . . 55.51 111.153 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.6 -24.31 46.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 71.55 111.112 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -86.89 -35.22 10.15 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.696 -0.764 . . . . 61.41 112.509 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -53.87 -47.8 70.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.948 0.404 . . . . 72.35 111.01 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -57.11 -28.78 62.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.066 -0.515 . . . . 75.54 110.901 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 33.4 mm -84.53 -30.83 7.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 53.52 111.186 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.69 -27.11 62.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 70.44 111.153 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 50.8 m . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 30.13 110.859 -179.876 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.451 ' HB3' HG13 ' A' ' 4' ' ' ILE . 11.9 mttp . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.814 0.34 . . . . 74.33 110.909 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.07 -28.29 24.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.28 -0.418 . . . . 71.41 111.16 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.451 HG13 ' HB3' ' A' ' 2' ' ' LYS . 1.4 pp -60.76 -26.46 38.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 74.44 111.108 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 43.6 mt -56.64 -44.89 81.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.191 -0.459 . . . . 63.13 110.976 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 19.1 mmm180 -55.5 -31.2 61.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 75.54 110.903 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -74.04 -60.5 2.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 73.45 110.901 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.2 p -57.59 -29.62 34.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 55.51 111.094 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.61 -24.27 46.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 71.55 111.108 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -87.45 -33.62 11.4 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.819 -0.705 . . . . 61.41 112.503 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 16.5 t80 -55.49 -50.35 70.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.868 0.366 . . . . 72.35 110.923 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -55.63 -28.99 58.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.147 -0.479 . . . . 75.54 110.882 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 35.2 mm -84.17 -35.15 10.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.434 . . . . 53.52 111.121 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.9 -22.73 65.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 70.44 111.131 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 17.6 t . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 30.13 110.852 -179.806 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.452 ' HB3' HG13 ' A' ' 4' ' ' ILE . 5.8 mttm . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.91 0.386 . . . . 74.33 110.851 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.37 -27.98 26.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.471 . . . . 71.41 111.195 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.452 HG13 ' HB3' ' A' ' 2' ' ' LYS . 1.4 pp -61.38 -25.85 37.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 74.44 111.131 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 42.6 mt -57.16 -44.88 83.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 63.13 110.98 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 9.5 mtp180 -55.42 -30.98 61.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 75.54 110.866 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -74.04 -60.52 2.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 73.45 110.901 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.1 p -57.61 -29.82 35.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.134 -0.485 . . . . 55.51 111.133 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.72 -24.22 48.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 71.55 111.019 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -86.08 -35.7 10.83 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.815 -0.707 . . . . 61.41 112.431 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 12.4 t80 -54.08 -47.6 71.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.87 0.367 . . . . 72.35 110.937 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -57.19 -28.31 62.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.093 -0.503 . . . . 75.54 110.855 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 31.8 mm -84.64 -36.76 11.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 53.52 111.142 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.88 -25.62 61.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.144 -0.48 . . . . 70.44 111.091 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 63.7 m . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 30.13 110.827 -179.759 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.447 ' HB3' HG13 ' A' ' 4' ' ' ILE . 9.3 mmtt . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.857 0.36 . . . . 74.33 110.942 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.52 -27.86 28.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.274 -0.421 . . . . 71.41 111.099 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.447 HG13 ' HB3' ' A' ' 2' ' ' LYS . 1.4 pp -61.47 -25.76 37.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 74.44 111.141 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 42.2 mt -57.14 -45.06 83.84 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.138 -0.483 . . . . 63.13 110.95 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.4 mtp85 -55.35 -30.93 61.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.481 . . . . 75.54 110.954 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -74.12 -60.49 2.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 73.45 110.855 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.3 p -57.7 -29.83 35.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 55.51 111.165 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.66 -24.28 47.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 71.55 111.121 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -87.63 -25.14 33.59 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.8 -0.714 . . . . 61.41 112.498 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -63.83 -48.92 74.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.93 0.395 . . . . 72.35 110.916 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -57.14 -28.43 62.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.093 -0.503 . . . . 75.54 110.841 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 31.6 mm -83.35 -32.68 9.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.451 . . . . 53.52 111.104 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.97 -25.77 59.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 70.44 111.14 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 28.1 m . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.19 -0.459 . . . . 30.13 110.857 -179.806 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.435 ' HB3' HG13 ' A' ' 4' ' ' ILE . 22.9 mttm . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.889 0.376 . . . . 74.33 110.87 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.49 -18.47 33.44 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.202 -0.454 . . . . 71.41 111.164 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.435 HG13 ' HB3' ' A' ' 2' ' ' LYS . 2.7 pp -75.05 -22.22 16.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 74.44 111.072 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.401 ' HA ' HG12 ' A' ' 8' ' ' VAL . 21.5 mt -52.89 -48.78 66.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.461 . . . . 63.13 110.939 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.1 mtt85 -55.98 -33.26 64.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 75.54 110.896 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -74.12 -60.71 2.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 73.45 110.846 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.401 HG12 ' HA ' ' A' ' 5' ' ' LEU . 7.7 p -56.49 -27.91 25.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 55.51 111.14 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.2 -22.64 63.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 71.55 111.113 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -88.41 -26.17 28.66 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.722 -0.751 . . . . 61.41 112.508 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -64.47 -49.06 72.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.91 0.386 . . . . 72.35 110.937 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -54.97 -27.77 46.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.125 -0.489 . . . . 75.54 110.865 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 28.1 mm -85.8 -29.45 6.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 53.52 111.158 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.02 -25.23 62.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 70.44 111.115 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.4 m . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 30.13 110.88 -179.824 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.448 ' HB3' HG13 ' A' ' 4' ' ' ILE . 11.5 mttp . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.856 0.36 . . . . 74.33 110.887 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.42 -27.9 27.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 71.41 111.124 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.448 HG13 ' HB3' ' A' ' 2' ' ' LYS . 1.4 pp -61.53 -25.69 37.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.221 -0.445 . . . . 74.44 111.136 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 43.7 mt -57.23 -44.93 84.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 63.13 110.88 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 9.4 mtp85 -55.42 -30.93 61.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 75.54 110.966 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -74.13 -60.53 2.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 73.45 110.861 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.3 p -57.68 -29.81 35.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.137 -0.483 . . . . 55.51 111.153 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.62 -24.31 47.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 71.55 111.092 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -86.74 -34.95 10.63 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.735 -0.745 . . . . 61.41 112.428 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -54.19 -47.35 72.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.926 0.393 . . . . 72.35 110.944 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -58.12 -29.04 65.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.07 -0.514 . . . . 75.54 110.855 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 35.5 mm -84.18 -37.26 12.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 53.52 111.073 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.04 -25.91 61.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 70.44 111.016 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.263 -0.426 . . . . 30.13 110.809 -179.715 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.47 ' HB3' HG13 ' A' ' 4' ' ' ILE . 66.0 mttt . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.837 0.351 . . . . 74.33 110.959 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.37 -27.99 26.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 71.41 111.129 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.47 HG13 ' HB3' ' A' ' 2' ' ' LYS . 1.4 pp -61.37 -25.83 37.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 74.44 111.094 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 42.5 mt -57.17 -45.0 84.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 63.13 110.896 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 32.0 mtt180 -55.34 -31.01 61.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 75.54 110.879 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -74.02 -60.49 2.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 73.45 110.888 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.1 p -57.87 -29.26 35.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.066 -0.515 . . . . 55.51 111.115 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.19 -25.42 32.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 71.55 111.078 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -89.11 -26.26 26.7 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.737 -0.744 . . . . 61.41 112.45 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 20.8 t80 -59.04 -40.64 85.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.835 0.35 . . . . 72.35 110.888 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -55.49 -30.71 61.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.144 -0.48 . . . . 75.54 110.825 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.9 mp -86.84 -33.79 7.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 53.52 111.13 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.49 -26.05 62.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 70.44 111.139 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 74.9 m . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.471 . . . . 30.13 110.867 -179.805 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.2 ttm . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.82 0.343 . . . . 71.13 110.865 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.451 ' HB3' HG13 ' A' ' 4' ' ' ILE . 22.5 mttt -154.23 105.09 2.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 74.33 110.854 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.42 -27.99 27.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 71.41 111.122 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.451 HG13 ' HB3' ' A' ' 2' ' ' LYS . 1.4 pp -61.39 -25.79 37.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 74.44 111.108 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 43.3 mt -57.23 -44.94 84.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 63.13 110.9 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 72.4 mtt85 -55.46 -30.9 61.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 75.54 110.861 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -74.12 -60.45 2.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 73.45 110.872 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.4 p -57.72 -29.83 35.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 55.51 111.105 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.6 -24.36 47.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 71.55 111.118 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -86.66 -34.37 11.68 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.73 -0.748 . . . . 61.41 112.495 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -54.74 -50.02 69.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.912 0.387 . . . . 72.35 110.97 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -54.0 -28.57 38.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.08 -0.509 . . . . 75.54 110.872 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 35.9 mm -86.22 -31.84 6.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 53.52 111.112 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.8 -25.54 60.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 70.44 111.076 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.2 -29.04 68.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.433 . . . . 30.13 110.865 -179.793 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 66.3 m170 -93.53 -41.74 9.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.115 -0.493 . . . . 62.13 110.847 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 29.6 mmtm -59.82 -73.18 0.09 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 61.21 110.897 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.6 pttt -169.87 152.61 4.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 64.32 110.91 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.52 ' O ' HG23 ' A' ' 20' ' ' THR . 0.0 OUTLIER -134.63 115.67 14.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 52.34 110.876 179.841 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.52 HG23 ' O ' ' A' ' 19' ' ' LYS . 0.8 OUTLIER -161.41 91.4 0.84 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 75.53 111.142 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 175.52 -50.77 0.12 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.738 -0.744 . . . . 50.33 112.467 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 146.93 -85.34 0.17 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.74 -0.743 . . . . 73.31 112.512 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.456 ' HB3' ' HD2' ' A' ' 24' ' ' PRO . 40.7 m-85 -123.31 156.29 63.8 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.673 0.749 . . . . 73.33 110.946 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.456 ' HD2' ' HB3' ' A' ' 23' ' ' TYR . 54.2 Cg_endo -69.76 -27.4 26.51 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.689 2.259 . . . . 74.1 112.389 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -115.16 -30.29 6.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.205 -0.452 . . . . 72.25 110.963 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.98 86.43 3.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 72.34 110.896 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.95 -27.2 43.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 64.51 110.898 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -159.03 -139.24 2.64 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.74 -0.743 . . . . 65.51 112.452 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.94 -35.35 50.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.769 0.319 . . . . 52.24 110.872 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 72.01 111.093 179.878 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 30.9 mtm . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.858 0.361 . . . . 71.13 110.895 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.453 ' HB3' HG13 ' A' ' 4' ' ' ILE . 18.9 mttt -134.99 105.13 6.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 74.33 110.89 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.5 -27.87 27.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 71.41 111.097 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.453 HG13 ' HB3' ' A' ' 2' ' ' LYS . 1.4 pp -61.48 -25.71 37.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 74.44 111.137 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 43.1 mt -57.31 -44.93 84.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 63.13 110.922 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 62.5 mtt-85 -55.41 -30.87 61.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 75.54 110.875 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -74.08 -60.51 2.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 73.45 110.883 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.5 p -57.68 -29.84 35.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.175 -0.466 . . . . 55.51 111.105 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.64 -24.29 47.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.43 . . . . 71.55 111.109 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -88.16 -35.71 8.72 Favored Glycine 0 C--N 1.331 0.265 0 C-N-CA 120.662 -0.78 . . . . 61.41 112.435 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 16.2 t80 -53.66 -45.73 70.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.879 0.371 . . . . 72.35 110.899 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -58.29 -28.64 65.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.066 -0.515 . . . . 75.54 110.863 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.7 mm -85.62 -33.56 7.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 53.52 111.087 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.47 -26.53 60.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 70.44 111.109 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 17.1 t -58.15 -29.39 65.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 30.13 110.831 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -85.35 -36.58 20.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 62.13 110.807 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? -61.53 -74.74 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 61.21 110.933 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.2 mttt -158.92 142.79 15.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 64.32 110.879 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.517 ' O ' HG23 ' A' ' 20' ' ' THR . 0.4 OUTLIER -134.87 115.71 13.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 52.34 110.904 179.9 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.517 HG23 ' O ' ' A' ' 19' ' ' LYS . 0.8 OUTLIER -161.33 121.22 2.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 75.53 111.183 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 108.97 103.96 2.87 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.755 -0.736 . . . . 50.33 112.492 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -138.59 51.67 0.76 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.716 -0.754 . . . . 73.31 112.542 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.459 ' HB3' ' HD2' ' A' ' 24' ' ' PRO . 40.9 m-85 -106.65 156.26 37.47 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.682 0.753 . . . . 73.33 110.891 -179.755 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.459 ' HD2' ' HB3' ' A' ' 23' ' ' TYR . 54.3 Cg_endo -69.69 -27.45 26.78 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.73 2.286 . . . . 74.1 112.383 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -115.16 -30.28 6.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.446 . . . . 72.25 110.966 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -101.11 86.54 3.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 72.34 110.871 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -76.14 -27.47 57.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 64.51 110.846 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 153.16 171.63 20.64 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.771 -0.728 . . . . 65.51 112.475 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.2 ptmt -107.75 -27.1 10.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.765 0.317 . . . . 52.24 110.88 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 72.01 111.144 179.772 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.9 mmm . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.914 0.388 . . . . 71.13 110.892 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.454 ' HB3' HG13 ' A' ' 4' ' ' ILE . 2.4 mtmm -54.97 104.98 0.13 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 74.33 110.887 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.38 -28.01 27.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 71.41 111.143 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.454 HG13 ' HB3' ' A' ' 2' ' ' LYS . 1.4 pp -61.3 -25.92 37.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 74.44 111.153 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 43.0 mt -57.09 -44.97 83.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 63.13 110.876 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 50.0 mtt-85 -55.43 -31.0 61.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 75.54 110.833 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -74.06 -60.47 2.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 73.45 110.93 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.3 p -57.71 -29.69 35.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 55.51 111.13 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.68 -24.29 47.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 71.55 111.068 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -86.86 -31.96 16.33 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.76 -0.733 . . . . 61.41 112.45 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 16.1 t80 -55.75 -45.75 77.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.84 0.352 . . . . 72.35 110.9 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -56.29 -30.12 62.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.061 -0.518 . . . . 75.54 110.873 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 30.3 mm -85.35 -30.54 6.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 53.52 111.163 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.16 -27.31 60.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 70.44 111.105 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.8 t -63.85 -30.97 72.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.428 . . . . 30.13 110.797 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 20.7 m170 -104.22 25.43 10.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 62.13 110.84 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.08 -49.49 13.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 61.21 110.879 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.8 mtpt -147.95 -169.95 3.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 64.32 110.938 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.28 139.42 0.15 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 52.34 110.933 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 23.6 p -77.16 71.87 3.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 75.53 111.117 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 83.78 -77.01 2.16 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.682 -0.77 . . . . 50.33 112.433 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 101.33 57.66 0.84 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.8 -0.714 . . . . 73.31 112.469 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.459 ' HB3' ' HD2' ' A' ' 24' ' ' PRO . 40.7 m-85 -125.67 156.28 71.16 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.678 0.751 . . . . 73.33 110.93 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.459 ' HD2' ' HB3' ' A' ' 23' ' ' TYR . 54.0 Cg_endo -69.74 -27.45 26.55 Favored 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.728 2.285 . . . . 74.1 112.347 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -115.08 -30.34 6.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.221 -0.445 . . . . 72.25 110.949 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.95 86.4 3.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 72.34 110.867 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -178.14 -35.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 64.51 110.871 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -94.31 -151.24 28.01 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.795 -0.717 . . . . 65.51 112.549 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.7 pttt -73.84 -35.74 64.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.846 0.355 . . . . 52.24 110.901 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 72.01 111.174 179.849 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.5 ttp . . . . . 0 N--CA 1.457 -0.096 0 CA-C-O 120.884 0.373 . . . . 71.13 110.923 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.453 ' HB3' HG13 ' A' ' 4' ' ' ILE . 0.5 OUTLIER -137.13 105.03 5.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 74.33 110.919 179.908 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.44 -27.88 27.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 71.41 111.131 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.453 HG13 ' HB3' ' A' ' 2' ' ' LYS . 1.4 pp -61.4 -25.9 37.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 74.44 111.085 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 43.2 mt -57.15 -44.91 83.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 63.13 110.981 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.6 mtp85 -55.41 -31.0 61.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 75.54 110.811 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -74.09 -60.42 2.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 73.45 110.884 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.2 p -57.61 -29.96 35.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 55.51 111.143 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.56 -24.33 46.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 71.55 111.055 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -87.86 -33.61 10.92 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.753 -0.737 . . . . 61.41 112.463 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 18.0 t80 -53.99 -46.9 71.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.888 0.375 . . . . 72.35 110.926 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -58.22 -27.95 64.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 75.54 110.845 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.8 mm -85.01 -35.81 10.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 53.52 111.138 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.28 -25.72 60.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 70.44 111.11 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.76 -35.53 78.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.438 . . . . 30.13 110.85 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 10.1 m-70 -94.35 -26.45 16.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 62.13 110.938 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.08 -50.67 67.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 61.21 110.94 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.3 ttpt -149.29 115.13 5.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 64.32 110.9 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -110.58 -13.82 14.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 52.34 110.84 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.6 t -171.73 146.18 2.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 75.53 111.167 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 158.6 -104.79 0.25 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.838 -0.696 . . . . 50.33 112.538 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -173.94 -95.9 0.1 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.744 -0.741 . . . . 73.31 112.496 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.454 ' HB3' ' HD2' ' A' ' 24' ' ' PRO . 41.8 m-85 -106.5 156.35 37.2 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.722 0.772 . . . . 73.33 110.901 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.454 ' HD2' ' HB3' ' A' ' 23' ' ' TYR . 53.3 Cg_endo -69.83 -27.44 26.12 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.659 2.239 . . . . 74.1 112.316 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -115.11 -30.49 6.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.207 -0.451 . . . . 72.25 110.873 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -98.81 22.36 10.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 72.34 110.83 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.9 tmm_? -52.86 -29.08 26.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 64.51 110.886 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 163.28 54.11 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.768 -0.729 . . . . 65.51 112.539 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 30.2 pttt -69.56 -28.75 66.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.802 0.334 . . . . 52.24 110.921 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 72.01 111.091 179.816 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.854 0.359 . . . . 71.13 110.865 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.451 ' HB3' HG13 ' A' ' 4' ' ' ILE . 55.0 mttt -116.29 105.13 12.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 74.33 110.917 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.4 -27.93 26.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 71.41 111.173 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.451 HG13 ' HB3' ' A' ' 2' ' ' LYS . 1.4 pp -61.5 -25.75 37.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 74.44 111.151 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 42.9 mt -57.11 -44.97 83.78 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.2 -0.454 . . . . 63.13 110.916 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.6 mtt180 -55.5 -30.92 61.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 75.54 110.836 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -74.07 -60.49 2.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 73.45 110.918 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.2 p -57.65 -29.77 35.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.061 -0.518 . . . . 55.51 111.2 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.77 -24.26 48.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 71.55 111.062 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -87.84 -37.06 8.08 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.719 -0.753 . . . . 61.41 112.474 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -53.99 -46.55 71.75 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.956 0.408 . . . . 72.35 110.959 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -57.23 -29.66 63.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.094 -0.503 . . . . 75.54 110.86 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 30.8 mm -85.58 -30.92 6.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 53.52 111.118 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.93 -25.7 61.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 70.44 111.148 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.93 -47.99 70.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 30.13 110.836 -179.738 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 31.7 p80 -84.74 -32.76 23.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.489 . . . . 62.13 110.832 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.3 ttmt -56.69 -52.51 64.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 61.21 110.946 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.66 127.82 20.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 64.32 110.943 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.547 ' HG2' HG23 ' A' ' 20' ' ' THR . 2.4 tttp -154.19 126.56 7.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.281 -0.418 . . . . 52.34 110.903 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.547 HG23 ' HG2' ' A' ' 19' ' ' LYS . 15.6 p 49.7 43.85 24.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 75.53 111.12 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -96.46 -63.73 0.93 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.786 -0.721 . . . . 50.33 112.466 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 175.9 -149.99 10.4 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.713 -0.756 . . . . 73.31 112.484 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.46 ' HB3' ' HD2' ' A' ' 24' ' ' PRO . 40.7 m-85 -127.66 156.35 75.67 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.717 0.77 . . . . 73.33 110.94 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.46 ' HD2' ' HB3' ' A' ' 23' ' ' TYR . 54.5 Cg_endo -69.78 -27.38 26.42 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.684 2.256 . . . . 74.1 112.352 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -115.18 -30.31 6.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.217 -0.447 . . . . 72.25 110.893 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -101.07 86.48 3.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.292 -0.413 . . . . 72.34 110.881 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.25 -27.74 69.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 64.51 110.854 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 160.14 -151.85 22.55 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.692 -0.766 . . . . 65.51 112.476 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 38.4 mtpt -93.89 -46.54 7.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.804 0.335 . . . . 52.24 110.872 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 72.01 111.032 179.818 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.827 0.346 . . . . 71.13 110.859 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.451 ' HB3' HG13 ' A' ' 4' ' ' ILE . 1.0 OUTLIER -58.58 105.18 0.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.273 -0.422 . . . . 74.33 110.874 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.5 -27.84 27.7 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.258 -0.428 . . . . 71.41 111.154 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.451 HG13 ' HB3' ' A' ' 2' ' ' LYS . 1.4 pp -61.49 -25.77 37.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 74.44 111.123 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 42.9 mt -57.2 -44.98 84.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.129 -0.487 . . . . 63.13 110.913 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.1 mtp85 -55.45 -30.89 61.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 75.54 110.889 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -74.13 -60.49 2.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 73.45 110.892 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.2 p -57.67 -29.82 35.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 55.51 111.138 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.66 -24.3 47.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.489 . . . . 71.55 111.095 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -87.67 -38.76 7.41 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.754 -0.736 . . . . 61.41 112.475 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 12.4 t80 -53.65 -47.15 70.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.855 0.359 . . . . 72.35 110.963 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -56.77 -28.16 60.81 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.084 -0.507 . . . . 75.54 110.809 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.4 mm -85.62 -34.13 8.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.193 -0.458 . . . . 53.52 111.132 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.08 -27.18 62.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 70.44 111.115 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 12.1 t -53.74 -34.89 60.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.237 -0.438 . . . . 30.13 110.879 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -80.16 -36.81 34.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 62.13 110.876 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 26.6 ttpt -52.24 -61.78 2.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.462 . . . . 61.21 110.855 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.2 tttp -167.79 134.27 2.1 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.261 -0.427 . . . . 64.32 110.927 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.24 -13.88 62.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.215 -0.448 . . . . 52.34 110.923 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 16.6 p -136.24 81.16 1.87 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 75.53 111.213 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -171.2 52.43 0.19 Allowed Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.731 -0.747 . . . . 50.33 112.489 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 104.76 115.16 4.05 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.697 -0.763 . . . . 73.31 112.491 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.468 ' HB3' ' HD2' ' A' ' 24' ' ' PRO . 41.5 m-85 -112.09 156.26 42.17 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.597 0.713 . . . . 73.33 110.899 -179.738 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.468 ' HD2' ' HB3' ' A' ' 23' ' ' TYR . 54.0 Cg_endo -69.71 -27.5 26.62 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.709 2.272 . . . . 74.1 112.307 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -115.08 -30.38 6.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.245 -0.434 . . . . 72.25 110.947 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.91 86.47 3.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 72.34 110.913 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.7 tmm_? -144.88 112.31 6.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 64.51 110.88 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 98.62 78.89 1.42 Allowed Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.748 -0.739 . . . . 65.51 112.503 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.36 -27.61 60.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.826 0.346 . . . . 52.24 110.948 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 72.01 111.13 179.806 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.817 0.341 . . . . 71.13 110.875 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.449 ' HB3' HG13 ' A' ' 4' ' ' ILE . 11.4 mttm -67.03 105.09 1.55 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 74.33 110.879 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.45 -27.95 27.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 71.41 111.102 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.449 HG13 ' HB3' ' A' ' 2' ' ' LYS . 1.4 pp -61.32 -25.92 37.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.252 -0.431 . . . . 74.44 111.169 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 42.8 mt -57.18 -44.93 84.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 63.13 110.9 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 27.6 mtm-85 -55.42 -30.96 61.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 75.54 110.878 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -74.09 -60.52 2.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 73.45 110.818 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.2 p -57.65 -29.85 35.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 55.51 111.09 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.72 -24.21 47.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 71.55 111.096 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -88.63 -36.17 8.09 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.732 -0.746 . . . . 61.41 112.481 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -54.21 -47.43 72.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.937 0.398 . . . . 72.35 110.965 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -57.15 -29.51 63.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.068 -0.514 . . . . 75.54 110.857 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 33.9 mm -83.87 -31.91 8.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 53.52 111.057 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.32 -25.81 61.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 70.44 111.138 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.0 t -52.93 -52.3 58.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 30.13 110.864 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 34.4 p80 -80.97 -29.75 35.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 62.13 110.788 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -57.09 -51.36 69.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 61.21 110.943 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.05 113.04 5.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 64.32 110.927 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.99 -13.93 60.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 52.34 110.866 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.2 t -139.26 121.47 15.86 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.277 -0.42 . . . . 75.53 111.11 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 131.57 59.97 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.737 -0.744 . . . . 50.33 112.482 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 142.28 156.31 6.75 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.804 -0.713 . . . . 73.31 112.489 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.461 ' HB3' ' HD2' ' A' ' 24' ' ' PRO . 40.7 m-85 -125.15 156.27 69.85 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.651 0.739 . . . . 73.33 110.936 -179.789 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.461 ' HD2' ' HB3' ' A' ' 23' ' ' TYR . 54.3 Cg_endo -69.77 -27.46 26.41 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.715 2.277 . . . . 74.1 112.354 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -115.15 -30.19 6.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.438 . . . . 72.25 110.929 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.01 86.44 3.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.279 -0.418 . . . . 72.34 110.933 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -104.22 -27.38 12.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 64.51 110.873 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 137.99 -20.83 3.2 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.751 -0.738 . . . . 65.51 112.419 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.48 -34.23 64.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.846 0.355 . . . . 52.24 110.873 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.232 0 CA-C-N 116.163 -0.472 . . . . 72.01 111.119 179.851 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.818 0.342 . . . . 71.13 110.89 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.448 ' HB3' HG13 ' A' ' 4' ' ' ILE . 0.0 OUTLIER -120.33 105.04 10.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 74.33 110.941 179.922 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.4 -27.97 27.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.441 . . . . 71.41 111.133 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.448 HG13 ' HB3' ' A' ' 2' ' ' LYS . 1.4 pp -61.39 -25.83 37.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 74.44 111.157 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 42.9 mt -57.19 -44.82 83.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 63.13 110.977 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 8.6 mtp180 -55.53 -30.92 61.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 75.54 110.83 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -74.1 -60.45 2.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 73.45 110.886 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.3 p -57.74 -29.84 35.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.105 -0.498 . . . . 55.51 111.097 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.6 -24.28 46.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 71.55 111.11 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -86.53 -31.59 18.41 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.768 -0.729 . . . . 61.41 112.416 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 23.3 t80 -58.49 -49.88 75.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.944 0.402 . . . . 72.35 110.965 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -56.25 -28.68 59.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 75.54 110.833 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 43.7 mm -84.47 -32.69 8.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 53.52 111.106 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.18 -26.43 60.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 70.44 111.164 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 18.1 m -57.04 -33.1 66.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 30.13 110.904 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 24.9 m170 -101.55 -56.06 2.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 62.13 110.891 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -53.81 -63.18 1.23 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 61.21 110.935 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 62.6 77.97 0.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 64.32 110.896 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.2 tmmt? -73.12 -13.74 61.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 52.34 110.869 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -152.57 86.04 1.26 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.245 -0.434 . . . . 75.53 111.121 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -74.97 -29.76 60.3 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.72 -0.752 . . . . 50.33 112.495 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -135.87 109.57 0.75 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.779 -0.724 . . . . 73.31 112.504 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.46 ' HB3' ' HD2' ' A' ' 24' ' ' PRO . 40.8 m-85 -83.89 156.3 64.28 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.586 0.708 . . . . 73.33 110.986 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.46 ' HD2' ' HB3' ' A' ' 23' ' ' TYR . 53.2 Cg_endo -69.84 -27.36 26.17 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.719 2.279 . . . . 74.1 112.302 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -115.15 -30.35 6.35 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.255 -0.43 . . . . 72.25 110.89 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.93 86.44 3.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.276 -0.42 . . . . 72.34 110.914 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.69 -27.94 14.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 64.51 110.88 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -74.57 87.89 0.73 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.727 -0.749 . . . . 65.51 112.451 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 28.1 mtpt -64.58 -39.76 94.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.75 0.309 . . . . 52.24 110.911 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 72.01 111.11 179.841 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 ttp . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.858 0.361 . . . . 71.13 110.887 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.452 ' HB3' HG13 ' A' ' 4' ' ' ILE . 44.8 mtmt -136.95 105.23 5.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 74.33 110.862 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.56 -27.83 28.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 71.41 111.114 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.452 HG13 ' HB3' ' A' ' 2' ' ' LYS . 1.4 pp -61.55 -25.79 37.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 74.44 111.107 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 43.4 mt -57.13 -45.02 83.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 63.13 110.865 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.1 mtp85 -55.37 -30.96 61.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 75.54 110.878 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -74.19 -60.42 2.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 73.45 110.843 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.3 p -57.71 -29.89 35.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 55.51 111.072 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.56 -24.35 46.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.44 . . . . 71.55 111.108 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -87.41 -36.34 8.85 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.744 -0.741 . . . . 61.41 112.424 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 16.9 t80 -53.78 -47.9 70.31 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.93 0.395 . . . . 72.35 110.892 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -56.36 -30.02 62.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.495 . . . . 75.54 110.88 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 35.8 mm -85.74 -31.33 6.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.443 . . . . 53.52 111.124 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.39 -29.32 63.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.472 . . . . 70.44 111.147 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 15.3 m -53.38 -38.47 63.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 30.13 110.855 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 44.1 m170 -90.18 -38.62 13.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.133 -0.485 . . . . 62.13 110.876 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.0 ttpt -53.9 -65.53 0.55 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 61.21 110.863 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -104.57 116.54 32.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.289 -0.414 . . . . 64.32 110.9 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.11 -13.82 51.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 52.34 110.945 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.6 t -149.84 136.13 18.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.469 . . . . 75.53 111.177 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 156.34 101.1 0.18 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.748 -0.739 . . . . 50.33 112.462 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -163.07 96.83 0.14 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.715 -0.755 . . . . 73.31 112.508 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.456 ' HB3' ' HD2' ' A' ' 24' ' ' PRO . 41.5 m-85 -124.91 156.34 69.07 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.685 0.755 . . . . 73.33 110.846 -179.734 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.456 ' HD2' ' HB3' ' A' ' 23' ' ' TYR . 53.3 Cg_endo -69.88 -27.38 25.99 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.647 2.231 . . . . 74.1 112.283 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -115.2 -30.23 6.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.264 -0.426 . . . . 72.25 110.914 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -100.96 86.42 3.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.264 -0.426 . . . . 72.34 110.915 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 21.1 tpt180 -152.41 118.95 5.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 64.51 110.863 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 131.58 160.82 9.94 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.767 -0.73 . . . . 65.51 112.494 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.1 pttt -74.89 -32.92 61.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.807 0.337 . . . . 52.24 110.914 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 72.01 111.094 179.82 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.873 0.368 . . . . 71.13 110.853 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.453 ' HB3' HG13 ' A' ' 4' ' ' ILE . 28.3 mtmt -144.88 105.14 4.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 74.33 110.875 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.45 -27.86 27.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 71.41 111.11 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.453 HG13 ' HB3' ' A' ' 2' ' ' LYS . 1.4 pp -61.53 -25.79 37.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.293 -0.412 . . . . 74.44 111.101 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 42.7 mt -57.13 -44.89 83.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 63.13 110.932 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.1 mtt-85 -55.51 -30.96 61.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.464 . . . . 75.54 110.878 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -74.11 -60.43 2.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 73.45 110.907 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.2 p -57.61 -29.95 35.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 55.51 111.115 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.63 -24.26 46.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 71.55 111.081 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -86.21 -31.51 19.59 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.754 -0.736 . . . . 61.41 112.477 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -56.55 -48.69 76.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.85 0.357 . . . . 72.35 110.911 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -55.96 -28.68 58.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.088 -0.506 . . . . 75.54 110.893 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.636 HG22 ' HG3' ' A' ' 17' ' ' LYS . 33.5 mm -84.28 -35.02 10.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 53.52 111.113 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.28 -25.29 63.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 70.44 111.104 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 30.9 t -52.04 -45.25 64.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 30.13 110.863 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 22.1 p80 -95.41 -38.36 10.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.089 -0.505 . . . . 62.13 110.869 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.636 ' HG3' HG22 ' A' ' 13' ' ' ILE . 10.5 mttm -64.55 -74.12 0.11 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.192 -0.458 . . . . 61.21 110.92 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.79 98.86 3.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 64.32 110.931 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.3 tmmt? -115.17 -13.87 11.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.309 -0.405 . . . . 52.34 110.879 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 69.8 p -95.12 41.35 1.1 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 75.53 111.238 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 89.81 -78.16 1.59 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.741 -0.742 . . . . 50.33 112.499 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 91.24 113.69 1.8 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.713 -0.755 . . . . 73.31 112.467 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.469 ' HB3' ' HD2' ' A' ' 24' ' ' PRO . 40.8 m-85 -104.69 156.29 36.17 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.718 0.77 . . . . 73.33 110.877 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.469 ' HD2' ' HB3' ' A' ' 23' ' ' TYR . 54.3 Cg_endo -69.67 -27.44 26.92 Favored 'Trans proline' 0 N--CA 1.465 -0.157 0 C-N-CA 122.691 2.261 . . . . 74.1 112.399 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -115.14 -30.38 6.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.204 -0.453 . . . . 72.25 110.952 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -100.92 86.4 3.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 72.34 110.921 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -128.38 97.67 4.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.495 . . . . 64.51 110.912 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -163.77 94.84 0.12 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.755 -0.736 . . . . 65.51 112.488 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.8 ptmm? -69.81 -31.87 69.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.834 0.35 . . . . 52.24 110.903 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 72.01 111.118 179.836 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.3 tpt . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.799 0.333 . . . . 71.13 110.903 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.45 ' HB3' HG13 ' A' ' 4' ' ' ILE . 41.6 mmtt -60.35 105.15 0.39 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.304 -0.407 . . . . 74.33 110.851 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.41 -27.98 27.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.289 -0.414 . . . . 71.41 111.173 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.45 HG13 ' HB3' ' A' ' 2' ' ' LYS . 1.4 pp -61.44 -25.79 37.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.453 . . . . 74.44 111.133 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 42.3 mt -57.15 -44.96 83.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 63.13 110.996 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 85.3 mtt180 -55.44 -30.9 61.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 75.54 110.876 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -74.11 -60.45 2.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 73.45 110.899 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.2 p -57.69 -29.84 35.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.096 -0.502 . . . . 55.51 111.152 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.57 -24.39 46.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 71.55 111.102 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -85.55 -36.27 10.83 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.753 -0.737 . . . . 61.41 112.516 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -54.14 -47.82 71.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.946 0.403 . . . . 72.35 110.936 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -56.58 -28.88 61.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.077 -0.51 . . . . 75.54 110.829 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 32.5 mm -86.15 -30.33 6.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 53.52 111.116 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.53 -27.3 62.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 70.44 111.061 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.61 -31.9 66.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 30.13 110.892 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 -92.89 -35.02 13.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 62.13 110.844 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.0 tptt -55.11 -43.32 73.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 61.21 110.912 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.2 tptp -157.08 129.7 7.54 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.21 -0.45 . . . . 64.32 110.956 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.5 tmmt? -104.22 -13.79 16.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 52.34 110.873 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 72.8 p -121.93 75.55 1.22 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 75.53 111.151 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -102.78 22.9 35.57 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.742 -0.742 . . . . 50.33 112.511 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 166.22 -94.43 0.11 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.777 -0.725 . . . . 73.31 112.494 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.465 ' HB3' ' HD2' ' A' ' 24' ' ' PRO . 41.9 m-85 -125.95 156.32 71.78 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.593 0.711 . . . . 73.33 110.925 -179.815 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.465 ' HD2' ' HB3' ' A' ' 23' ' ' TYR . 54.2 Cg_endo -69.73 -27.41 26.67 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.611 2.207 . . . . 74.1 112.392 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -115.15 -30.28 6.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.164 -0.471 . . . . 72.25 110.963 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -100.99 86.49 3.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.137 -0.483 . . . . 72.34 110.898 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.46 -27.58 66.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 64.51 110.912 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 152.73 130.64 1.57 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.773 -0.727 . . . . 65.51 112.517 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.2 ptmm? -113.18 -34.74 5.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.753 0.311 . . . . 52.24 110.834 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 72.01 111.059 179.846 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.1 mmm . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.794 0.33 . . . . 71.13 110.885 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.456 ' HB3' HG13 ' A' ' 4' ' ' ILE . 0.5 OUTLIER -109.38 105.23 14.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 74.33 110.905 179.935 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.5 -27.9 28.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.255 -0.43 . . . . 71.41 111.11 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.456 HG13 ' HB3' ' A' ' 2' ' ' LYS . 1.4 pp -61.56 -25.64 37.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 74.44 111.178 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 43.4 mt -57.35 -44.86 84.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 63.13 110.914 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 31.6 mtp85 -55.46 -30.92 61.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.204 -0.453 . . . . 75.54 110.844 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -74.12 -60.39 2.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 73.45 110.916 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.4 p -57.77 -29.89 36.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 55.51 111.067 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.47 -24.38 45.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 71.55 111.139 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -86.1 -34.12 13.39 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.811 -0.709 . . . . 61.41 112.534 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 13.9 t80 -54.27 -46.77 72.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.937 0.398 . . . . 72.35 110.965 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -55.68 -29.33 59.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 75.54 110.819 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 30.2 mm -85.92 -33.44 7.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 53.52 111.153 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.73 -25.44 63.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 70.44 111.079 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 74.5 m -52.95 -34.28 54.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 30.13 110.892 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 -102.75 -43.26 5.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 62.13 110.826 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.9 mmtm -60.1 -72.33 0.11 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.256 -0.429 . . . . 61.21 110.855 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.2 98.8 9.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 64.32 110.995 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -100.2 -13.83 18.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 52.34 110.911 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.7 t -160.62 143.8 13.32 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.243 -0.435 . . . . 75.53 111.078 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -174.58 72.82 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.741 -0.742 . . . . 50.33 112.517 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -133.83 87.47 0.26 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.785 -0.721 . . . . 73.31 112.531 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.47 ' HB3' ' HD2' ' A' ' 24' ' ' PRO . 40.9 m-85 -95.97 156.24 37.39 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.68 0.752 . . . . 73.33 110.903 -179.783 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.47 ' HD2' ' HB3' ' A' ' 23' ' ' TYR . 53.7 Cg_endo -69.69 -27.38 26.85 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.663 2.242 . . . . 74.1 112.373 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -115.23 -30.29 6.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 72.25 110.869 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.99 86.56 3.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 72.34 110.875 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.15 115.69 6.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.485 . . . . 64.51 110.871 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 140.97 135.04 3.13 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.797 -0.716 . . . . 65.51 112.549 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.1 mmtp -80.97 -73.24 0.38 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.826 0.346 . . . . 52.24 110.923 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.266 -0.424 . . . . 72.01 111.062 179.821 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.823 0.344 . . . . 71.13 110.887 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.443 ' HB3' HG13 ' A' ' 4' ' ' ILE . 4.2 mttm -77.69 105.05 8.6 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.287 -0.415 . . . . 74.33 110.92 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.4 -27.88 26.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 71.41 111.187 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.443 HG13 ' HB3' ' A' ' 2' ' ' LYS . 1.4 pp -61.5 -25.76 37.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 74.44 111.13 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 42.8 mt -57.16 -45.0 83.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.436 . . . . 63.13 110.902 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 29.9 mtt180 -55.35 -30.98 61.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 75.54 110.906 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -74.15 -60.42 2.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 73.45 110.897 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.3 p -57.75 -29.77 35.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 55.51 111.117 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.61 -24.36 47.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.247 -0.433 . . . . 71.55 111.087 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -85.06 -35.27 12.74 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.779 -0.724 . . . . 61.41 112.446 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -54.48 -45.83 73.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.931 0.396 . . . . 72.35 110.943 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -60.03 -28.93 68.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 75.54 110.857 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 35.4 mm -82.85 -35.33 12.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 53.52 111.136 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.54 -25.27 61.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 70.44 111.068 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.8 t -64.57 -36.3 83.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 30.13 110.892 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 24.9 m170 -106.88 25.48 11.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.48 . . . . 62.13 110.905 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.7 ttmt -63.59 -51.13 66.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 61.21 110.87 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -137.6 69.76 1.4 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 64.32 110.881 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -101.67 -13.84 17.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 52.34 110.875 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.0 t -171.16 134.83 0.94 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 75.53 111.143 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 69.46 98.57 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.704 -0.76 . . . . 50.33 112.457 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -95.11 -75.99 1.3 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.706 -0.759 . . . . 73.31 112.481 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.463 ' HB3' ' HD2' ' A' ' 24' ' ' PRO . 40.8 m-85 -123.93 156.23 65.95 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.649 0.738 . . . . 73.33 110.966 -179.813 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.463 ' HD2' ' HB3' ' A' ' 23' ' ' TYR . 53.8 Cg_endo -69.71 -27.41 26.74 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.658 2.239 . . . . 74.1 112.388 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -115.17 -30.32 6.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 72.25 110.898 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -101.02 86.52 3.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.312 -0.404 . . . . 72.34 110.932 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -136.58 110.75 8.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 64.51 110.83 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -159.23 -144.73 4.04 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.81 -0.709 . . . . 65.51 112.531 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.32 -31.98 22.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.779 0.323 . . . . 52.24 110.876 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 72.01 111.109 179.82 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mtt . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.834 0.35 . . . . 71.13 110.872 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.454 ' HB3' HG13 ' A' ' 4' ' ' ILE . 1.1 mmpt? -97.41 104.05 16.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.29 -0.414 . . . . 74.33 110.923 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.15 -28.25 25.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.236 -0.438 . . . . 71.41 111.089 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.454 HG13 ' HB3' ' A' ' 2' ' ' LYS . 1.5 pp -60.7 -26.53 38.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.43 . . . . 74.44 111.093 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 44.8 mt -56.63 -44.89 81.68 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.231 -0.44 . . . . 63.13 110.856 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 14.7 mtp85 -55.51 -31.27 61.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 75.54 110.853 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -73.97 -60.48 2.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 73.45 110.966 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.3 p -57.63 -29.79 35.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.093 -0.503 . . . . 55.51 111.153 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.6 -24.31 46.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 71.55 111.112 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -86.89 -35.22 10.15 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.696 -0.764 . . . . 61.41 112.509 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -53.87 -47.8 70.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.948 0.404 . . . . 72.35 111.01 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -57.11 -28.78 62.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.066 -0.515 . . . . 75.54 110.901 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 33.4 mm -84.53 -30.83 7.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 53.52 111.186 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.69 -27.11 62.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 70.44 111.153 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 50.8 m -53.6 -38.49 64.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 30.13 110.859 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 46.8 m-70 -77.57 -41.58 38.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.076 -0.511 . . . . 62.13 110.851 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.94 -60.72 2.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 61.21 110.948 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.3 tttp -136.36 125.82 25.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 64.32 110.937 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -106.39 -13.82 15.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 52.34 110.829 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 41.2 p -116.42 69.44 0.75 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.252 -0.431 . . . . 75.53 111.158 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 178.74 62.36 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.8 -0.714 . . . . 50.33 112.526 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -135.3 100.23 0.35 Allowed Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.778 -0.725 . . . . 73.31 112.52 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.449 ' HB3' ' HD2' ' A' ' 24' ' ' PRO . 40.9 m-85 -114.0 156.26 44.24 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.697 0.761 . . . . 73.33 110.934 -179.807 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.449 ' HD2' ' HB3' ' A' ' 23' ' ' TYR . 53.9 Cg_endo -69.7 -27.41 26.78 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.698 2.265 . . . . 74.1 112.416 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -115.13 -30.35 6.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 72.25 110.905 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -101.03 86.48 3.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.282 -0.417 . . . . 72.34 110.864 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -78.02 -27.43 48.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.088 -0.505 . . . . 64.51 110.867 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -166.14 167.96 39.59 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.748 -0.739 . . . . 65.51 112.506 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.45 -27.0 63.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.79 0.329 . . . . 52.24 110.851 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 72.01 111.114 179.803 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 tpt . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.885 0.374 . . . . 71.13 110.829 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.451 ' HB3' HG13 ' A' ' 4' ' ' ILE . 11.9 mttp -56.9 104.09 0.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.276 -0.42 . . . . 74.33 110.909 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.07 -28.29 24.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.28 -0.418 . . . . 71.41 111.16 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.451 HG13 ' HB3' ' A' ' 2' ' ' LYS . 1.4 pp -60.76 -26.46 38.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 74.44 111.108 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 43.6 mt -56.64 -44.89 81.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.191 -0.459 . . . . 63.13 110.976 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 19.1 mmm180 -55.5 -31.2 61.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 75.54 110.903 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -74.04 -60.5 2.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 73.45 110.901 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.2 p -57.59 -29.62 34.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 55.51 111.094 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.61 -24.27 46.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 71.55 111.108 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -87.45 -33.62 11.4 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.819 -0.705 . . . . 61.41 112.503 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 16.5 t80 -55.49 -50.35 70.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.868 0.366 . . . . 72.35 110.923 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -55.63 -28.99 58.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.147 -0.479 . . . . 75.54 110.882 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 35.2 mm -84.17 -35.15 10.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.434 . . . . 53.52 111.121 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.9 -22.73 65.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 70.44 111.131 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 17.6 t -51.96 -41.13 61.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 30.13 110.852 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 5.4 p80 -109.3 -25.79 10.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.084 -0.507 . . . . 62.13 110.781 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.1 ttmm -75.16 -60.47 2.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 61.21 110.91 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.5 tttp -134.96 91.29 2.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.268 -0.424 . . . . 64.32 110.945 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.04 -13.9 34.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.183 -0.462 . . . . 52.34 110.881 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 14.8 t -162.05 137.97 7.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 75.53 111.177 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 172.09 -52.19 0.17 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.683 -0.77 . . . . 50.33 112.466 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 101.34 136.56 9.36 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.738 -0.744 . . . . 73.31 112.504 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.467 ' HB3' ' HD2' ' A' ' 24' ' ' PRO . 41.5 m-85 -108.04 156.32 38.51 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.606 0.717 . . . . 73.33 110.979 -179.822 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.467 ' HD2' ' HB3' ' A' ' 23' ' ' TYR . 53.6 Cg_endo -69.81 -27.35 26.36 Favored 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.689 2.259 . . . . 74.1 112.329 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -115.22 -30.22 6.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.232 -0.44 . . . . 72.25 110.886 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.13 86.52 3.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.261 -0.427 . . . . 72.34 110.865 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.8 tmm_? -62.43 -28.15 69.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 64.51 110.884 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -172.26 -141.72 3.51 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.75 -0.738 . . . . 65.51 112.509 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 28.0 mmtt -86.19 -72.67 0.49 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.759 0.314 . . . . 52.24 110.833 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 72.01 111.133 179.843 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.858 0.361 . . . . 71.13 110.842 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.452 ' HB3' HG13 ' A' ' 4' ' ' ILE . 5.8 mttm -141.24 105.02 4.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 74.33 110.851 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.37 -27.98 26.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.471 . . . . 71.41 111.195 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.452 HG13 ' HB3' ' A' ' 2' ' ' LYS . 1.4 pp -61.38 -25.85 37.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 74.44 111.131 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 42.6 mt -57.16 -44.88 83.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 63.13 110.98 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 9.5 mtp180 -55.42 -30.98 61.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 75.54 110.866 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -74.04 -60.52 2.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 73.45 110.901 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.1 p -57.61 -29.82 35.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.134 -0.485 . . . . 55.51 111.133 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.72 -24.22 48.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 71.55 111.019 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -86.08 -35.7 10.83 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.815 -0.707 . . . . 61.41 112.431 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 12.4 t80 -54.08 -47.6 71.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.87 0.367 . . . . 72.35 110.937 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -57.19 -28.31 62.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.093 -0.503 . . . . 75.54 110.855 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 31.8 mm -84.64 -36.76 11.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 53.52 111.142 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.88 -25.62 61.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.144 -0.48 . . . . 70.44 111.091 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 63.7 m -56.4 -29.15 61.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 30.13 110.827 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 44.9 m170 -101.9 -32.94 9.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.488 . . . . 62.13 110.843 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.6 mmmt -77.75 -72.47 0.36 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 61.21 110.851 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.27 133.59 1.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 64.32 110.867 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.2 tptm -143.75 116.76 8.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 52.34 110.893 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 14.2 t -114.54 20.01 15.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 75.53 111.174 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 77.59 -82.02 1.2 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.769 -0.729 . . . . 50.33 112.477 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 97.47 26.9 9.57 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.726 -0.75 . . . . 73.31 112.522 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.466 ' HB3' ' HD2' ' A' ' 24' ' ' PRO . 42.1 m-85 -90.21 156.31 46.26 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.725 0.774 . . . . 73.33 110.966 -179.809 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.466 ' HD2' ' HB3' ' A' ' 23' ' ' TYR . 53.9 Cg_endo -69.71 -27.47 26.67 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.724 2.283 . . . . 74.1 112.321 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -115.07 -30.69 6.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 72.25 110.931 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.85 23.84 7.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.278 -0.419 . . . . 72.34 110.921 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 15.8 tpt180 -51.67 -75.19 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.129 -0.487 . . . . 64.51 110.866 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -164.98 111.0 0.44 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.735 -0.745 . . . . 65.51 112.504 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.6 pttm -93.78 -27.36 16.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.829 0.347 . . . . 52.24 110.956 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 72.01 111.132 179.772 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.872 0.367 . . . . 71.13 110.868 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.447 ' HB3' HG13 ' A' ' 4' ' ' ILE . 9.3 mmtt -92.09 105.11 17.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.446 . . . . 74.33 110.942 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.52 -27.86 28.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.274 -0.421 . . . . 71.41 111.099 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.447 HG13 ' HB3' ' A' ' 2' ' ' LYS . 1.4 pp -61.47 -25.76 37.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 74.44 111.141 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 42.2 mt -57.14 -45.06 83.84 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.138 -0.483 . . . . 63.13 110.95 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.4 mtp85 -55.35 -30.93 61.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.481 . . . . 75.54 110.954 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -74.12 -60.49 2.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 73.45 110.855 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.3 p -57.7 -29.83 35.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 55.51 111.165 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.66 -24.28 47.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 71.55 111.121 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -87.63 -25.14 33.59 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.8 -0.714 . . . . 61.41 112.498 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -63.83 -48.92 74.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.93 0.395 . . . . 72.35 110.916 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -57.14 -28.43 62.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.093 -0.503 . . . . 75.54 110.841 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 31.6 mm -83.35 -32.68 9.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.451 . . . . 53.52 111.104 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.97 -25.77 59.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 70.44 111.14 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 28.1 m -56.62 -50.17 72.8 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.19 -0.459 . . . . 30.13 110.857 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 34.1 p80 -82.13 -33.88 29.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 62.13 110.914 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.4 ttpt -55.25 -40.03 70.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 61.21 110.92 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.28 141.79 5.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 64.32 110.847 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -179.32 139.65 0.15 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 52.34 110.879 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 30.8 p -146.9 -171.04 3.68 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.194 -0.457 . . . . 75.53 111.128 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -139.87 77.67 0.31 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.789 -0.719 . . . . 50.33 112.504 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 97.2 115.01 3.25 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.75 -0.738 . . . . 73.31 112.47 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.452 ' HB3' ' HD2' ' A' ' 24' ' ' PRO . 41.0 m-85 -92.84 156.29 40.86 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.757 0.789 . . . . 73.33 110.884 -179.787 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.452 ' HD2' ' HB3' ' A' ' 23' ' ' TYR . 53.4 Cg_endo -69.83 -27.34 26.24 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.66 2.24 . . . . 74.1 112.352 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -115.15 -30.34 6.36 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.185 -0.461 . . . . 72.25 110.905 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -100.94 86.46 3.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 72.34 110.896 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.4 tmm_? -98.57 -26.74 14.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 64.51 110.861 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -154.96 126.08 1.81 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.654 -0.784 . . . . 65.51 112.457 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -91.99 -27.44 17.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.772 0.32 . . . . 52.24 110.857 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.432 . . . . 72.01 111.087 179.87 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.816 0.341 . . . . 71.13 110.91 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.435 ' HB3' HG13 ' A' ' 4' ' ' ILE . 22.9 mttm -69.25 143.23 53.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 74.33 110.87 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.49 -18.47 33.44 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.202 -0.454 . . . . 71.41 111.164 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.435 HG13 ' HB3' ' A' ' 2' ' ' LYS . 2.7 pp -75.05 -22.22 16.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 74.44 111.072 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.401 ' HA ' HG12 ' A' ' 8' ' ' VAL . 21.5 mt -52.89 -48.78 66.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.461 . . . . 63.13 110.939 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.1 mtt85 -55.98 -33.26 64.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 75.54 110.896 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -74.12 -60.71 2.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 73.45 110.846 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.401 HG12 ' HA ' ' A' ' 5' ' ' LEU . 7.7 p -56.49 -27.91 25.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 55.51 111.14 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.2 -22.64 63.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 71.55 111.113 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -88.41 -26.17 28.66 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.722 -0.751 . . . . 61.41 112.508 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -64.47 -49.06 72.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.91 0.386 . . . . 72.35 110.937 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -54.97 -27.77 46.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.125 -0.489 . . . . 75.54 110.865 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 28.1 mm -85.8 -29.45 6.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 53.52 111.158 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.02 -25.23 62.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 70.44 111.115 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.4 m -58.13 -43.3 87.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 30.13 110.88 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 35.4 m170 -79.69 -37.75 35.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 62.13 110.811 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.5 ttpt -56.14 -35.02 66.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 61.21 110.947 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.9 tttm 61.69 91.04 0.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 64.32 110.884 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.54 -13.75 62.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 52.34 110.935 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 82.7 p -83.97 78.93 9.65 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.223 -0.444 . . . . 75.53 111.148 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 163.27 48.23 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.795 -0.716 . . . . 50.33 112.511 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -148.97 38.86 0.96 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.76 -0.733 . . . . 73.31 112.503 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.457 ' HB3' ' HD2' ' A' ' 24' ' ' PRO . 41.1 m-85 -116.53 156.33 47.66 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.739 0.78 . . . . 73.33 110.873 -179.779 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.457 ' HD2' ' HB3' ' A' ' 23' ' ' TYR . 53.9 Cg_endo -69.75 -27.41 26.56 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.605 2.203 . . . . 74.1 112.387 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -115.1 -30.35 6.37 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.2 -0.454 . . . . 72.25 110.916 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.07 86.55 3.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 72.34 110.867 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.73 -26.23 19.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.497 . . . . 64.51 110.907 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -91.64 -159.49 35.49 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.678 -0.773 . . . . 65.51 112.478 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -104.55 -31.49 9.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.815 0.34 . . . . 52.24 110.902 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.24 -0.436 . . . . 72.01 111.102 179.878 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 35.3 mtm . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.893 0.378 . . . . 71.13 110.881 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.448 ' HB3' HG13 ' A' ' 4' ' ' ILE . 11.5 mttp -122.43 104.99 9.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 74.33 110.887 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.42 -27.9 27.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 71.41 111.124 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.448 HG13 ' HB3' ' A' ' 2' ' ' LYS . 1.4 pp -61.53 -25.69 37.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.221 -0.445 . . . . 74.44 111.136 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 43.7 mt -57.23 -44.93 84.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 63.13 110.88 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 9.4 mtp85 -55.42 -30.93 61.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 75.54 110.966 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -74.13 -60.53 2.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 73.45 110.861 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.3 p -57.68 -29.81 35.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.137 -0.483 . . . . 55.51 111.153 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.62 -24.31 47.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 71.55 111.092 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -86.74 -34.95 10.63 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.735 -0.745 . . . . 61.41 112.428 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -54.19 -47.35 72.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.926 0.393 . . . . 72.35 110.944 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -58.12 -29.04 65.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.07 -0.514 . . . . 75.54 110.855 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 35.5 mm -84.18 -37.26 12.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 53.52 111.073 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.04 -25.91 61.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 70.44 111.016 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.74 -55.31 27.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.263 -0.426 . . . . 30.13 110.809 -179.715 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 30.8 p80 -78.1 -28.11 48.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 62.13 110.915 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.92 -67.43 0.34 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 61.21 110.989 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -96.63 71.29 2.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 64.32 110.938 179.751 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.4 tmmt? -104.91 11.13 33.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.479 . . . . 52.34 110.927 179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.1 t -166.74 138.21 3.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.426 . . . . 75.53 111.15 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 174.93 -79.87 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.734 -0.745 . . . . 50.33 112.448 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 83.44 126.53 1.19 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.776 -0.726 . . . . 73.31 112.514 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.46 ' HB3' ' HD2' ' A' ' 24' ' ' PRO . 40.5 m-85 -104.86 156.27 36.26 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.691 0.757 . . . . 73.33 110.9 -179.779 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.46 ' HD2' ' HB3' ' A' ' 23' ' ' TYR . 53.7 Cg_endo -69.75 -27.37 26.59 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.662 2.241 . . . . 74.1 112.387 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -115.15 -30.33 6.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 72.25 110.954 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -100.91 86.46 3.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 72.34 110.954 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.79 25.31 10.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 64.51 110.841 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -130.16 91.28 0.3 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.698 -0.763 . . . . 65.51 112.483 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.5 pttt -53.33 -34.18 56.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.815 0.34 . . . . 52.24 110.97 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.276 -0.42 . . . . 72.01 111.106 179.778 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.824 0.345 . . . . 71.13 110.899 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.47 ' HB3' HG13 ' A' ' 4' ' ' ILE . 66.0 mttt -146.23 105.05 3.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 74.33 110.959 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.37 -27.99 26.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 71.41 111.129 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.47 HG13 ' HB3' ' A' ' 2' ' ' LYS . 1.4 pp -61.37 -25.83 37.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 74.44 111.094 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 42.5 mt -57.17 -45.0 84.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 63.13 110.896 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 32.0 mtt180 -55.34 -31.01 61.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 75.54 110.879 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -74.02 -60.49 2.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 73.45 110.888 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.1 p -57.87 -29.26 35.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.066 -0.515 . . . . 55.51 111.115 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.19 -25.42 32.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 71.55 111.078 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -89.11 -26.26 26.7 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.737 -0.744 . . . . 61.41 112.45 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 20.8 t80 -59.04 -40.64 85.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.835 0.35 . . . . 72.35 110.888 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -55.49 -30.71 61.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.144 -0.48 . . . . 75.54 110.825 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.9 mp -86.84 -33.79 7.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 53.52 111.13 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.49 -26.05 62.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 70.44 111.139 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 74.9 m -56.81 -33.25 66.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.471 . . . . 30.13 110.867 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 38.7 m-70 -95.09 -42.47 8.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.082 -0.508 . . . . 62.13 110.857 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.43 -32.78 51.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 61.21 110.898 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.05 69.39 7.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 64.32 110.947 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.8 tmmt? -89.84 -13.79 35.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 52.34 110.969 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 14.2 t -137.47 20.0 2.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 75.53 111.122 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 81.15 -91.51 1.43 Allowed Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.818 -0.706 . . . . 50.33 112.521 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 95.97 34.46 5.93 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.746 -0.74 . . . . 73.31 112.445 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.453 ' HB3' ' HD2' ' A' ' 24' ' ' PRO . 40.9 m-85 -124.31 156.32 67.11 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.664 0.745 . . . . 73.33 110.942 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.453 ' HD2' ' HB3' ' A' ' 23' ' ' TYR . 53.6 Cg_endo -69.75 -27.46 26.51 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.74 2.293 . . . . 74.1 112.314 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -115.14 -30.26 6.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 72.25 110.922 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -100.99 86.52 3.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.292 -0.413 . . . . 72.34 110.849 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.9 -27.0 13.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 64.51 110.899 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 168.53 -171.83 42.81 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.713 -0.756 . . . . 65.51 112.489 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.4 mmtp -71.36 -72.85 0.2 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.779 0.323 . . . . 52.24 110.912 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 72.01 111.062 179.869 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.451 ' HB3' HG13 ' A' ' 4' ' ' ILE . 22.5 mttt . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.881 0.372 . . . . 74.33 110.854 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.42 -27.99 27.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 71.41 111.122 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.451 HG13 ' HB3' ' A' ' 2' ' ' LYS . 1.4 pp -61.39 -25.79 37.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 74.44 111.108 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 43.3 mt -57.23 -44.94 84.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 63.13 110.9 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 72.4 mtt85 -55.46 -30.9 61.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 75.54 110.861 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -74.12 -60.45 2.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 73.45 110.872 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.4 p -57.72 -29.83 35.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 55.51 111.105 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.6 -24.36 47.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 71.55 111.118 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -86.66 -34.37 11.68 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.73 -0.748 . . . . 61.41 112.495 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -54.74 -50.02 69.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.912 0.387 . . . . 72.35 110.97 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -54.0 -28.57 38.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.08 -0.509 . . . . 75.54 110.872 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 35.9 mm -86.22 -31.84 6.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 53.52 111.112 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.8 -25.54 60.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 70.44 111.076 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.433 . . . . 30.13 110.865 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.453 ' HB3' HG13 ' A' ' 4' ' ' ILE . 18.9 mttt . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.866 0.365 . . . . 74.33 110.89 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.5 -27.87 27.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 71.41 111.097 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.453 HG13 ' HB3' ' A' ' 2' ' ' LYS . 1.4 pp -61.48 -25.71 37.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 74.44 111.137 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 43.1 mt -57.31 -44.93 84.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 63.13 110.922 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 62.5 mtt-85 -55.41 -30.87 61.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 75.54 110.875 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -74.08 -60.51 2.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 73.45 110.883 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.5 p -57.68 -29.84 35.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.175 -0.466 . . . . 55.51 111.105 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.64 -24.29 47.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.43 . . . . 71.55 111.109 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -88.16 -35.71 8.72 Favored Glycine 0 C--N 1.331 0.265 0 C-N-CA 120.662 -0.78 . . . . 61.41 112.435 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 16.2 t80 -53.66 -45.73 70.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.879 0.371 . . . . 72.35 110.899 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -58.29 -28.64 65.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.066 -0.515 . . . . 75.54 110.863 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.7 mm -85.62 -33.56 7.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 53.52 111.087 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.47 -26.53 60.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 70.44 111.109 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 17.1 t . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 30.13 110.831 -179.758 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.454 ' HB3' HG13 ' A' ' 4' ' ' ILE . 2.4 mtmm . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.882 0.372 . . . . 74.33 110.887 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.38 -28.01 27.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 71.41 111.143 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.454 HG13 ' HB3' ' A' ' 2' ' ' LYS . 1.4 pp -61.3 -25.92 37.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 74.44 111.153 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 43.0 mt -57.09 -44.97 83.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 63.13 110.876 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 50.0 mtt-85 -55.43 -31.0 61.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 75.54 110.833 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -74.06 -60.47 2.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 73.45 110.93 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.3 p -57.71 -29.69 35.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 55.51 111.13 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.68 -24.29 47.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 71.55 111.068 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -86.86 -31.96 16.33 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.76 -0.733 . . . . 61.41 112.45 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 16.1 t80 -55.75 -45.75 77.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.84 0.352 . . . . 72.35 110.9 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -56.29 -30.12 62.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.061 -0.518 . . . . 75.54 110.873 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 30.3 mm -85.35 -30.54 6.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 53.52 111.163 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.16 -27.31 60.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 70.44 111.105 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.8 t . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.428 . . . . 30.13 110.797 -179.805 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.453 ' HB3' HG13 ' A' ' 4' ' ' ILE . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.841 0.353 . . . . 74.33 110.919 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.44 -27.88 27.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 71.41 111.131 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.453 HG13 ' HB3' ' A' ' 2' ' ' LYS . 1.4 pp -61.4 -25.9 37.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 74.44 111.085 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 43.2 mt -57.15 -44.91 83.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 63.13 110.981 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.6 mtp85 -55.41 -31.0 61.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 75.54 110.811 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -74.09 -60.42 2.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 73.45 110.884 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.2 p -57.61 -29.96 35.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 55.51 111.143 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.56 -24.33 46.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 71.55 111.055 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -87.86 -33.61 10.92 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.753 -0.737 . . . . 61.41 112.463 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 18.0 t80 -53.99 -46.9 71.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.888 0.375 . . . . 72.35 110.926 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -58.22 -27.95 64.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 75.54 110.845 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.8 mm -85.01 -35.81 10.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 53.52 111.138 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.28 -25.72 60.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 70.44 111.11 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.438 . . . . 30.13 110.85 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.451 ' HB3' HG13 ' A' ' 4' ' ' ILE . 55.0 mttt . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.852 0.358 . . . . 74.33 110.917 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.4 -27.93 26.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 71.41 111.173 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.451 HG13 ' HB3' ' A' ' 2' ' ' LYS . 1.4 pp -61.5 -25.75 37.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 74.44 111.151 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 42.9 mt -57.11 -44.97 83.78 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.2 -0.454 . . . . 63.13 110.916 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.6 mtt180 -55.5 -30.92 61.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 75.54 110.836 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -74.07 -60.49 2.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 73.45 110.918 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.2 p -57.65 -29.77 35.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.061 -0.518 . . . . 55.51 111.2 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.77 -24.26 48.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 71.55 111.062 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -87.84 -37.06 8.08 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.719 -0.753 . . . . 61.41 112.474 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -53.99 -46.55 71.75 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.956 0.408 . . . . 72.35 110.959 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -57.23 -29.66 63.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.094 -0.503 . . . . 75.54 110.86 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 30.8 mm -85.58 -30.92 6.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 53.52 111.118 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.93 -25.7 61.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 70.44 111.148 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 30.13 110.836 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.451 ' HB3' HG13 ' A' ' 4' ' ' ILE . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.878 0.371 . . . . 74.33 110.874 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.5 -27.84 27.7 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.258 -0.428 . . . . 71.41 111.154 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.451 HG13 ' HB3' ' A' ' 2' ' ' LYS . 1.4 pp -61.49 -25.77 37.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 74.44 111.123 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 42.9 mt -57.2 -44.98 84.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.129 -0.487 . . . . 63.13 110.913 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.1 mtp85 -55.45 -30.89 61.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 75.54 110.889 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -74.13 -60.49 2.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 73.45 110.892 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.2 p -57.67 -29.82 35.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 55.51 111.138 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.66 -24.3 47.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.489 . . . . 71.55 111.095 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -87.67 -38.76 7.41 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.754 -0.736 . . . . 61.41 112.475 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 12.4 t80 -53.65 -47.15 70.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.855 0.359 . . . . 72.35 110.963 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -56.77 -28.16 60.81 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.084 -0.507 . . . . 75.54 110.809 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.4 mm -85.62 -34.13 8.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.193 -0.458 . . . . 53.52 111.132 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.08 -27.18 62.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 70.44 111.115 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 12.1 t . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.237 -0.438 . . . . 30.13 110.879 -179.777 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.449 ' HB3' HG13 ' A' ' 4' ' ' ILE . 11.4 mttm . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.902 0.382 . . . . 74.33 110.879 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.45 -27.95 27.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 71.41 111.102 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.449 HG13 ' HB3' ' A' ' 2' ' ' LYS . 1.4 pp -61.32 -25.92 37.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.252 -0.431 . . . . 74.44 111.169 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 42.8 mt -57.18 -44.93 84.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 63.13 110.9 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 27.6 mtm-85 -55.42 -30.96 61.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 75.54 110.878 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -74.09 -60.52 2.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 73.45 110.818 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.2 p -57.65 -29.85 35.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 55.51 111.09 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.72 -24.21 47.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 71.55 111.096 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -88.63 -36.17 8.09 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.732 -0.746 . . . . 61.41 112.481 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -54.21 -47.43 72.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.937 0.398 . . . . 72.35 110.965 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -57.15 -29.51 63.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.068 -0.514 . . . . 75.54 110.857 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 33.9 mm -83.87 -31.91 8.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 53.52 111.057 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.32 -25.81 61.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 70.44 111.138 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.0 t . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 30.13 110.864 -179.817 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.448 ' HB3' HG13 ' A' ' 4' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.834 0.35 . . . . 74.33 110.941 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.4 -27.97 27.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.441 . . . . 71.41 111.133 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.448 HG13 ' HB3' ' A' ' 2' ' ' LYS . 1.4 pp -61.39 -25.83 37.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 74.44 111.157 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 42.9 mt -57.19 -44.82 83.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 63.13 110.977 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 8.6 mtp180 -55.53 -30.92 61.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 75.54 110.83 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -74.1 -60.45 2.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 73.45 110.886 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.3 p -57.74 -29.84 35.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.105 -0.498 . . . . 55.51 111.097 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.6 -24.28 46.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 71.55 111.11 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -86.53 -31.59 18.41 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.768 -0.729 . . . . 61.41 112.416 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 23.3 t80 -58.49 -49.88 75.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.944 0.402 . . . . 72.35 110.965 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -56.25 -28.68 59.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 75.54 110.833 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 43.7 mm -84.47 -32.69 8.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 53.52 111.106 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.18 -26.43 60.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 70.44 111.164 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 18.1 m . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 30.13 110.904 -179.843 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.452 ' HB3' HG13 ' A' ' 4' ' ' ILE . 44.8 mtmt . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.851 0.357 . . . . 74.33 110.862 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.56 -27.83 28.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 71.41 111.114 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.452 HG13 ' HB3' ' A' ' 2' ' ' LYS . 1.4 pp -61.55 -25.79 37.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 74.44 111.107 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 43.4 mt -57.13 -45.02 83.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 63.13 110.865 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.1 mtp85 -55.37 -30.96 61.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 75.54 110.878 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -74.19 -60.42 2.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 73.45 110.843 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.3 p -57.71 -29.89 35.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 55.51 111.072 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.56 -24.35 46.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.44 . . . . 71.55 111.108 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -87.41 -36.34 8.85 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.744 -0.741 . . . . 61.41 112.424 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 16.9 t80 -53.78 -47.9 70.31 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.93 0.395 . . . . 72.35 110.892 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -56.36 -30.02 62.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.495 . . . . 75.54 110.88 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 35.8 mm -85.74 -31.33 6.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.443 . . . . 53.52 111.124 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.39 -29.32 63.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.472 . . . . 70.44 111.147 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 15.3 m . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 30.13 110.855 -179.802 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.453 ' HB3' HG13 ' A' ' 4' ' ' ILE . 28.3 mtmt . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.87 0.367 . . . . 74.33 110.875 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.45 -27.86 27.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 71.41 111.11 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.453 HG13 ' HB3' ' A' ' 2' ' ' LYS . 1.4 pp -61.53 -25.79 37.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.293 -0.412 . . . . 74.44 111.101 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 42.7 mt -57.13 -44.89 83.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 63.13 110.932 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.1 mtt-85 -55.51 -30.96 61.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.464 . . . . 75.54 110.878 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -74.11 -60.43 2.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 73.45 110.907 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.2 p -57.61 -29.95 35.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 55.51 111.115 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.63 -24.26 46.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 71.55 111.081 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -86.21 -31.51 19.59 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.754 -0.736 . . . . 61.41 112.477 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -56.55 -48.69 76.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.85 0.357 . . . . 72.35 110.911 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -55.96 -28.68 58.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.088 -0.506 . . . . 75.54 110.893 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 33.5 mm -84.28 -35.02 10.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 53.52 111.113 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.28 -25.29 63.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 70.44 111.104 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 30.9 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 30.13 110.863 -179.789 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.45 ' HB3' HG13 ' A' ' 4' ' ' ILE . 41.6 mmtt . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.867 0.365 . . . . 74.33 110.851 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.41 -27.98 27.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.289 -0.414 . . . . 71.41 111.173 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.45 HG13 ' HB3' ' A' ' 2' ' ' LYS . 1.4 pp -61.44 -25.79 37.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.453 . . . . 74.44 111.133 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 42.3 mt -57.15 -44.96 83.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 63.13 110.996 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 85.3 mtt180 -55.44 -30.9 61.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 75.54 110.876 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -74.11 -60.45 2.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 73.45 110.899 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.2 p -57.69 -29.84 35.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.096 -0.502 . . . . 55.51 111.152 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.57 -24.39 46.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 71.55 111.102 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -85.55 -36.27 10.83 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.753 -0.737 . . . . 61.41 112.516 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -54.14 -47.82 71.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.946 0.403 . . . . 72.35 110.936 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -56.58 -28.88 61.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.077 -0.51 . . . . 75.54 110.829 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 32.5 mm -86.15 -30.33 6.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 53.52 111.116 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.53 -27.3 62.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 70.44 111.061 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 30.13 110.892 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.456 ' HB3' HG13 ' A' ' 4' ' ' ILE . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.919 0.39 . . . . 74.33 110.905 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.5 -27.9 28.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.255 -0.43 . . . . 71.41 111.11 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.456 HG13 ' HB3' ' A' ' 2' ' ' LYS . 1.4 pp -61.56 -25.64 37.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 74.44 111.178 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 43.4 mt -57.35 -44.86 84.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 63.13 110.914 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 31.6 mtp85 -55.46 -30.92 61.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.204 -0.453 . . . . 75.54 110.844 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -74.12 -60.39 2.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 73.45 110.916 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.4 p -57.77 -29.89 36.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 55.51 111.067 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.47 -24.38 45.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 71.55 111.139 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -86.1 -34.12 13.39 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.811 -0.709 . . . . 61.41 112.534 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 13.9 t80 -54.27 -46.77 72.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.937 0.398 . . . . 72.35 110.965 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -55.68 -29.33 59.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 75.54 110.819 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 30.2 mm -85.92 -33.44 7.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 53.52 111.153 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.73 -25.44 63.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 70.44 111.079 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 74.5 m . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 30.13 110.892 -179.83 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.443 ' HB3' HG13 ' A' ' 4' ' ' ILE . 4.2 mttm . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.882 0.372 . . . . 74.33 110.92 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.4 -27.88 26.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 71.41 111.187 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.443 HG13 ' HB3' ' A' ' 2' ' ' LYS . 1.4 pp -61.5 -25.76 37.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 74.44 111.13 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 42.8 mt -57.16 -45.0 83.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.436 . . . . 63.13 110.902 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 29.9 mtt180 -55.35 -30.98 61.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 75.54 110.906 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -74.15 -60.42 2.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 73.45 110.897 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.3 p -57.75 -29.77 35.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 55.51 111.117 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.61 -24.36 47.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.247 -0.433 . . . . 71.55 111.087 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -85.06 -35.27 12.74 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.779 -0.724 . . . . 61.41 112.446 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -54.48 -45.83 73.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.931 0.396 . . . . 72.35 110.943 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -60.03 -28.93 68.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 75.54 110.857 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 35.4 mm -82.85 -35.33 12.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 53.52 111.136 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.54 -25.27 61.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 70.44 111.068 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.8 t . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 30.13 110.892 -179.776 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.454 ' HB3' HG13 ' A' ' 4' ' ' ILE . 1.1 mmpt? . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.901 0.382 . . . . 74.33 110.923 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.15 -28.25 25.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.236 -0.438 . . . . 71.41 111.089 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.454 HG13 ' HB3' ' A' ' 2' ' ' LYS . 1.5 pp -60.7 -26.53 38.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.43 . . . . 74.44 111.093 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 44.8 mt -56.63 -44.89 81.68 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.231 -0.44 . . . . 63.13 110.856 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 14.7 mtp85 -55.51 -31.27 61.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 75.54 110.853 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -73.97 -60.48 2.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 73.45 110.966 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.3 p -57.63 -29.79 35.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.093 -0.503 . . . . 55.51 111.153 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.6 -24.31 46.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 71.55 111.112 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -86.89 -35.22 10.15 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.696 -0.764 . . . . 61.41 112.509 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -53.87 -47.8 70.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.948 0.404 . . . . 72.35 111.01 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -57.11 -28.78 62.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.066 -0.515 . . . . 75.54 110.901 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 33.4 mm -84.53 -30.83 7.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 53.52 111.186 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.69 -27.11 62.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 70.44 111.153 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 50.8 m . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 30.13 110.859 -179.876 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.451 ' HB3' HG13 ' A' ' 4' ' ' ILE . 11.9 mttp . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.814 0.34 . . . . 74.33 110.909 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.07 -28.29 24.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.28 -0.418 . . . . 71.41 111.16 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.451 HG13 ' HB3' ' A' ' 2' ' ' LYS . 1.4 pp -60.76 -26.46 38.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 74.44 111.108 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 43.6 mt -56.64 -44.89 81.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.191 -0.459 . . . . 63.13 110.976 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 19.1 mmm180 -55.5 -31.2 61.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 75.54 110.903 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -74.04 -60.5 2.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 73.45 110.901 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.2 p -57.59 -29.62 34.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 55.51 111.094 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.61 -24.27 46.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 71.55 111.108 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -87.45 -33.62 11.4 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.819 -0.705 . . . . 61.41 112.503 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 16.5 t80 -55.49 -50.35 70.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.868 0.366 . . . . 72.35 110.923 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -55.63 -28.99 58.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.147 -0.479 . . . . 75.54 110.882 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 35.2 mm -84.17 -35.15 10.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.434 . . . . 53.52 111.121 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.9 -22.73 65.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 70.44 111.131 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 17.6 t . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 30.13 110.852 -179.806 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.452 ' HB3' HG13 ' A' ' 4' ' ' ILE . 5.8 mttm . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.91 0.386 . . . . 74.33 110.851 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.37 -27.98 26.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.471 . . . . 71.41 111.195 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.452 HG13 ' HB3' ' A' ' 2' ' ' LYS . 1.4 pp -61.38 -25.85 37.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 74.44 111.131 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 42.6 mt -57.16 -44.88 83.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 63.13 110.98 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 9.5 mtp180 -55.42 -30.98 61.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 75.54 110.866 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -74.04 -60.52 2.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 73.45 110.901 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.1 p -57.61 -29.82 35.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.134 -0.485 . . . . 55.51 111.133 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.72 -24.22 48.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 71.55 111.019 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -86.08 -35.7 10.83 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.815 -0.707 . . . . 61.41 112.431 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 12.4 t80 -54.08 -47.6 71.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.87 0.367 . . . . 72.35 110.937 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -57.19 -28.31 62.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.093 -0.503 . . . . 75.54 110.855 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 31.8 mm -84.64 -36.76 11.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 53.52 111.142 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.88 -25.62 61.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.144 -0.48 . . . . 70.44 111.091 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 63.7 m . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 30.13 110.827 -179.759 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.447 ' HB3' HG13 ' A' ' 4' ' ' ILE . 9.3 mmtt . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.857 0.36 . . . . 74.33 110.942 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.52 -27.86 28.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.274 -0.421 . . . . 71.41 111.099 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.447 HG13 ' HB3' ' A' ' 2' ' ' LYS . 1.4 pp -61.47 -25.76 37.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 74.44 111.141 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 42.2 mt -57.14 -45.06 83.84 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.138 -0.483 . . . . 63.13 110.95 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.4 mtp85 -55.35 -30.93 61.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.481 . . . . 75.54 110.954 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -74.12 -60.49 2.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 73.45 110.855 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.3 p -57.7 -29.83 35.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 55.51 111.165 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.66 -24.28 47.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 71.55 111.121 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -87.63 -25.14 33.59 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.8 -0.714 . . . . 61.41 112.498 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -63.83 -48.92 74.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.93 0.395 . . . . 72.35 110.916 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -57.14 -28.43 62.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.093 -0.503 . . . . 75.54 110.841 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 31.6 mm -83.35 -32.68 9.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.451 . . . . 53.52 111.104 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.97 -25.77 59.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 70.44 111.14 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 28.1 m . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.19 -0.459 . . . . 30.13 110.857 -179.806 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.435 ' HB3' HG13 ' A' ' 4' ' ' ILE . 22.9 mttm . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.889 0.376 . . . . 74.33 110.87 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.49 -18.47 33.44 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.202 -0.454 . . . . 71.41 111.164 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.435 HG13 ' HB3' ' A' ' 2' ' ' LYS . 2.7 pp -75.05 -22.22 16.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 74.44 111.072 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.401 ' HA ' HG12 ' A' ' 8' ' ' VAL . 21.5 mt -52.89 -48.78 66.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.461 . . . . 63.13 110.939 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.1 mtt85 -55.98 -33.26 64.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 75.54 110.896 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -74.12 -60.71 2.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 73.45 110.846 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.401 HG12 ' HA ' ' A' ' 5' ' ' LEU . 7.7 p -56.49 -27.91 25.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 55.51 111.14 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.2 -22.64 63.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 71.55 111.113 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -88.41 -26.17 28.66 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.722 -0.751 . . . . 61.41 112.508 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -64.47 -49.06 72.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.91 0.386 . . . . 72.35 110.937 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -54.97 -27.77 46.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.125 -0.489 . . . . 75.54 110.865 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 28.1 mm -85.8 -29.45 6.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 53.52 111.158 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.02 -25.23 62.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 70.44 111.115 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.4 m . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 30.13 110.88 -179.824 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.448 ' HB3' HG13 ' A' ' 4' ' ' ILE . 11.5 mttp . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.856 0.36 . . . . 74.33 110.887 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.42 -27.9 27.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 71.41 111.124 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.448 HG13 ' HB3' ' A' ' 2' ' ' LYS . 1.4 pp -61.53 -25.69 37.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.221 -0.445 . . . . 74.44 111.136 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 43.7 mt -57.23 -44.93 84.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 63.13 110.88 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 9.4 mtp85 -55.42 -30.93 61.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 75.54 110.966 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -74.13 -60.53 2.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 73.45 110.861 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.3 p -57.68 -29.81 35.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.137 -0.483 . . . . 55.51 111.153 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.62 -24.31 47.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 71.55 111.092 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -86.74 -34.95 10.63 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.735 -0.745 . . . . 61.41 112.428 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -54.19 -47.35 72.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.926 0.393 . . . . 72.35 110.944 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -58.12 -29.04 65.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.07 -0.514 . . . . 75.54 110.855 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 35.5 mm -84.18 -37.26 12.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 53.52 111.073 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.04 -25.91 61.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 70.44 111.016 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.263 -0.426 . . . . 30.13 110.809 -179.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.47 ' HB3' HG13 ' A' ' 4' ' ' ILE . 66.0 mttt . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.837 0.351 . . . . 74.33 110.959 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.37 -27.99 26.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 71.41 111.129 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.47 HG13 ' HB3' ' A' ' 2' ' ' LYS . 1.4 pp -61.37 -25.83 37.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 74.44 111.094 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 42.5 mt -57.17 -45.0 84.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 63.13 110.896 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 32.0 mtt180 -55.34 -31.01 61.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 75.54 110.879 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -74.02 -60.49 2.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 73.45 110.888 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.1 p -57.87 -29.26 35.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.066 -0.515 . . . . 55.51 111.115 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.19 -25.42 32.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 71.55 111.078 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -89.11 -26.26 26.7 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.737 -0.744 . . . . 61.41 112.45 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 20.8 t80 -59.04 -40.64 85.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.835 0.35 . . . . 72.35 110.888 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -55.49 -30.71 61.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.144 -0.48 . . . . 75.54 110.825 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.9 mp -86.84 -33.79 7.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 53.52 111.13 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.49 -26.05 62.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 70.44 111.139 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 74.9 m . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.471 . . . . 30.13 110.867 -179.805 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.2 ttm . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.82 0.343 . . . . 71.13 110.865 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.451 ' HB3' HG13 ' A' ' 4' ' ' ILE . 22.5 mttt -154.23 105.09 2.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 74.33 110.854 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.42 -27.99 27.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 71.41 111.122 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.451 HG13 ' HB3' ' A' ' 2' ' ' LYS . 1.4 pp -61.39 -25.79 37.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 74.44 111.108 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 43.3 mt -57.23 -44.94 84.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 63.13 110.9 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 72.4 mtt85 -55.46 -30.9 61.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 75.54 110.861 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -74.12 -60.45 2.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 73.45 110.872 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.4 p -57.72 -29.83 35.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 55.51 111.105 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.6 -24.36 47.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 71.55 111.118 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -86.66 -34.37 11.68 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.73 -0.748 . . . . 61.41 112.495 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -54.74 -50.02 69.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.912 0.387 . . . . 72.35 110.97 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -54.0 -28.57 38.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.08 -0.509 . . . . 75.54 110.872 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 35.9 mm -86.22 -31.84 6.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 53.52 111.112 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.8 -25.54 60.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 70.44 111.076 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.2 -29.04 68.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.433 . . . . 30.13 110.865 -179.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 66.3 m170 -93.53 -41.74 9.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.115 -0.493 . . . . 62.13 110.847 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 29.6 mmtm -59.82 -73.18 0.09 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 61.21 110.897 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.6 pttt -169.87 152.61 4.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 64.32 110.91 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.52 ' O ' HG23 ' A' ' 20' ' ' THR . 0.0 OUTLIER -134.63 115.67 14.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 52.34 110.876 179.841 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.52 HG23 ' O ' ' A' ' 19' ' ' LYS . 0.8 OUTLIER -161.41 91.4 0.84 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 75.53 111.142 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 175.52 -50.77 0.12 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.738 -0.744 . . . . 50.33 112.467 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 146.93 -85.34 0.17 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.74 -0.743 . . . . 73.31 112.512 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.456 ' HB3' ' HD2' ' A' ' 24' ' ' PRO . 40.7 m-85 -123.31 156.29 63.8 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.673 0.749 . . . . 73.33 110.946 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.456 ' HD2' ' HB3' ' A' ' 23' ' ' TYR . 54.2 Cg_endo -69.76 -27.4 26.51 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.689 2.259 . . . . 74.1 112.389 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -115.16 -30.29 6.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.205 -0.452 . . . . 72.25 110.963 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.98 86.43 3.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 72.34 110.896 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.95 -27.2 43.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 64.51 110.898 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -159.03 -139.24 2.64 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.74 -0.743 . . . . 65.51 112.452 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.94 -35.35 50.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.769 0.319 . . . . 52.24 110.872 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 72.01 111.093 179.878 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 30.9 mtm . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.858 0.361 . . . . 71.13 110.895 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.453 ' HB3' HG13 ' A' ' 4' ' ' ILE . 18.9 mttt -134.99 105.13 6.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 74.33 110.89 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.5 -27.87 27.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 71.41 111.097 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.453 HG13 ' HB3' ' A' ' 2' ' ' LYS . 1.4 pp -61.48 -25.71 37.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 74.44 111.137 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 43.1 mt -57.31 -44.93 84.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 63.13 110.922 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 62.5 mtt-85 -55.41 -30.87 61.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 75.54 110.875 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -74.08 -60.51 2.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 73.45 110.883 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.5 p -57.68 -29.84 35.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.175 -0.466 . . . . 55.51 111.105 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.64 -24.29 47.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.43 . . . . 71.55 111.109 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -88.16 -35.71 8.72 Favored Glycine 0 C--N 1.331 0.265 0 C-N-CA 120.662 -0.78 . . . . 61.41 112.435 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 16.2 t80 -53.66 -45.73 70.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.879 0.371 . . . . 72.35 110.899 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -58.29 -28.64 65.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.066 -0.515 . . . . 75.54 110.863 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.7 mm -85.62 -33.56 7.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 53.52 111.087 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.47 -26.53 60.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 70.44 111.109 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 17.1 t -58.15 -29.39 65.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 30.13 110.831 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -85.35 -36.58 20.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 62.13 110.807 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? -61.53 -74.74 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 61.21 110.933 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.2 mttt -158.92 142.79 15.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 64.32 110.879 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.517 ' O ' HG23 ' A' ' 20' ' ' THR . 0.4 OUTLIER -134.87 115.71 13.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 52.34 110.904 179.9 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.517 HG23 ' O ' ' A' ' 19' ' ' LYS . 0.8 OUTLIER -161.33 121.22 2.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 75.53 111.183 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 108.97 103.96 2.87 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.755 -0.736 . . . . 50.33 112.492 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -138.59 51.67 0.76 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.716 -0.754 . . . . 73.31 112.542 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.459 ' HB3' ' HD2' ' A' ' 24' ' ' PRO . 40.9 m-85 -106.65 156.26 37.47 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.682 0.753 . . . . 73.33 110.891 -179.755 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.459 ' HD2' ' HB3' ' A' ' 23' ' ' TYR . 54.3 Cg_endo -69.69 -27.45 26.78 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.73 2.286 . . . . 74.1 112.383 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -115.16 -30.28 6.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.446 . . . . 72.25 110.966 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -101.11 86.54 3.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 72.34 110.871 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -76.14 -27.47 57.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 64.51 110.846 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 153.16 171.63 20.64 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.771 -0.728 . . . . 65.51 112.475 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.2 ptmt -107.75 -27.1 10.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.765 0.317 . . . . 52.24 110.88 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 72.01 111.144 179.772 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.9 mmm . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.914 0.388 . . . . 71.13 110.892 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.454 ' HB3' HG13 ' A' ' 4' ' ' ILE . 2.4 mtmm -54.97 104.98 0.13 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 74.33 110.887 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.38 -28.01 27.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 71.41 111.143 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.454 HG13 ' HB3' ' A' ' 2' ' ' LYS . 1.4 pp -61.3 -25.92 37.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 74.44 111.153 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 43.0 mt -57.09 -44.97 83.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 63.13 110.876 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 50.0 mtt-85 -55.43 -31.0 61.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 75.54 110.833 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -74.06 -60.47 2.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 73.45 110.93 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.3 p -57.71 -29.69 35.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 55.51 111.13 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.68 -24.29 47.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 71.55 111.068 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -86.86 -31.96 16.33 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.76 -0.733 . . . . 61.41 112.45 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 16.1 t80 -55.75 -45.75 77.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.84 0.352 . . . . 72.35 110.9 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -56.29 -30.12 62.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.061 -0.518 . . . . 75.54 110.873 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 30.3 mm -85.35 -30.54 6.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 53.52 111.163 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.16 -27.31 60.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 70.44 111.105 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.8 t -63.85 -30.97 72.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.428 . . . . 30.13 110.797 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 20.7 m170 -104.22 25.43 10.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 62.13 110.84 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.08 -49.49 13.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 61.21 110.879 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.8 mtpt -147.95 -169.95 3.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 64.32 110.938 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.28 139.42 0.15 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 52.34 110.933 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 23.6 p -77.16 71.87 3.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 75.53 111.117 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 83.78 -77.01 2.16 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.682 -0.77 . . . . 50.33 112.433 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 101.33 57.66 0.84 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.8 -0.714 . . . . 73.31 112.469 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.459 ' HB3' ' HD2' ' A' ' 24' ' ' PRO . 40.7 m-85 -125.67 156.28 71.16 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.678 0.751 . . . . 73.33 110.93 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.459 ' HD2' ' HB3' ' A' ' 23' ' ' TYR . 54.0 Cg_endo -69.74 -27.45 26.55 Favored 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.728 2.285 . . . . 74.1 112.347 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -115.08 -30.34 6.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.221 -0.445 . . . . 72.25 110.949 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.95 86.4 3.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 72.34 110.867 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -178.14 -35.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 64.51 110.871 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -94.31 -151.24 28.01 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.795 -0.717 . . . . 65.51 112.549 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.7 pttt -73.84 -35.74 64.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.846 0.355 . . . . 52.24 110.901 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 72.01 111.174 179.849 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.5 ttp . . . . . 0 N--CA 1.457 -0.096 0 CA-C-O 120.884 0.373 . . . . 71.13 110.923 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.453 ' HB3' HG13 ' A' ' 4' ' ' ILE . 0.5 OUTLIER -137.13 105.03 5.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 74.33 110.919 179.908 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.44 -27.88 27.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 71.41 111.131 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.453 HG13 ' HB3' ' A' ' 2' ' ' LYS . 1.4 pp -61.4 -25.9 37.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 74.44 111.085 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 43.2 mt -57.15 -44.91 83.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 63.13 110.981 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.6 mtp85 -55.41 -31.0 61.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 75.54 110.811 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -74.09 -60.42 2.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 73.45 110.884 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.2 p -57.61 -29.96 35.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 55.51 111.143 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.56 -24.33 46.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 71.55 111.055 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -87.86 -33.61 10.92 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.753 -0.737 . . . . 61.41 112.463 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 18.0 t80 -53.99 -46.9 71.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.888 0.375 . . . . 72.35 110.926 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -58.22 -27.95 64.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 75.54 110.845 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.8 mm -85.01 -35.81 10.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 53.52 111.138 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.28 -25.72 60.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 70.44 111.11 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.76 -35.53 78.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.438 . . . . 30.13 110.85 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 10.1 m-70 -94.35 -26.45 16.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 62.13 110.938 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.08 -50.67 67.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 61.21 110.94 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.3 ttpt -149.29 115.13 5.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 64.32 110.9 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -110.58 -13.82 14.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 52.34 110.84 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.6 t -171.73 146.18 2.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 75.53 111.167 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 158.6 -104.79 0.25 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.838 -0.696 . . . . 50.33 112.538 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -173.94 -95.9 0.1 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.744 -0.741 . . . . 73.31 112.496 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.454 ' HB3' ' HD2' ' A' ' 24' ' ' PRO . 41.8 m-85 -106.5 156.35 37.2 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.722 0.772 . . . . 73.33 110.901 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.454 ' HD2' ' HB3' ' A' ' 23' ' ' TYR . 53.3 Cg_endo -69.83 -27.44 26.12 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.659 2.239 . . . . 74.1 112.316 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -115.11 -30.49 6.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.207 -0.451 . . . . 72.25 110.873 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -98.81 22.36 10.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 72.34 110.83 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.9 tmm_? -52.86 -29.08 26.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 64.51 110.886 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 163.28 54.11 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.768 -0.729 . . . . 65.51 112.539 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 30.2 pttt -69.56 -28.75 66.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.802 0.334 . . . . 52.24 110.921 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 72.01 111.091 179.816 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.854 0.359 . . . . 71.13 110.865 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.451 ' HB3' HG13 ' A' ' 4' ' ' ILE . 55.0 mttt -116.29 105.13 12.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 74.33 110.917 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.4 -27.93 26.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 71.41 111.173 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.451 HG13 ' HB3' ' A' ' 2' ' ' LYS . 1.4 pp -61.5 -25.75 37.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 74.44 111.151 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 42.9 mt -57.11 -44.97 83.78 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.2 -0.454 . . . . 63.13 110.916 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.6 mtt180 -55.5 -30.92 61.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 75.54 110.836 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -74.07 -60.49 2.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 73.45 110.918 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.2 p -57.65 -29.77 35.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.061 -0.518 . . . . 55.51 111.2 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.77 -24.26 48.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 71.55 111.062 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -87.84 -37.06 8.08 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.719 -0.753 . . . . 61.41 112.474 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -53.99 -46.55 71.75 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.956 0.408 . . . . 72.35 110.959 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -57.23 -29.66 63.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.094 -0.503 . . . . 75.54 110.86 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 30.8 mm -85.58 -30.92 6.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 53.52 111.118 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.93 -25.7 61.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 70.44 111.148 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.93 -47.99 70.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 30.13 110.836 -179.738 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 31.7 p80 -84.74 -32.76 23.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.489 . . . . 62.13 110.832 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.3 ttmt -56.69 -52.51 64.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 61.21 110.946 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.66 127.82 20.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 64.32 110.943 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.547 ' HG2' HG23 ' A' ' 20' ' ' THR . 2.4 tttp -154.19 126.56 7.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.281 -0.418 . . . . 52.34 110.903 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.547 HG23 ' HG2' ' A' ' 19' ' ' LYS . 15.6 p 49.7 43.85 24.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 75.53 111.12 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -96.46 -63.73 0.93 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.786 -0.721 . . . . 50.33 112.466 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 175.9 -149.99 10.4 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.713 -0.756 . . . . 73.31 112.484 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.46 ' HB3' ' HD2' ' A' ' 24' ' ' PRO . 40.7 m-85 -127.66 156.35 75.67 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.717 0.77 . . . . 73.33 110.94 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.46 ' HD2' ' HB3' ' A' ' 23' ' ' TYR . 54.5 Cg_endo -69.78 -27.38 26.42 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.684 2.256 . . . . 74.1 112.352 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -115.18 -30.31 6.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.217 -0.447 . . . . 72.25 110.893 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -101.07 86.48 3.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.292 -0.413 . . . . 72.34 110.881 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.25 -27.74 69.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 64.51 110.854 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 160.14 -151.85 22.55 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.692 -0.766 . . . . 65.51 112.476 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 38.4 mtpt -93.89 -46.54 7.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.804 0.335 . . . . 52.24 110.872 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 72.01 111.032 179.818 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.827 0.346 . . . . 71.13 110.859 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.451 ' HB3' HG13 ' A' ' 4' ' ' ILE . 1.0 OUTLIER -58.58 105.18 0.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.273 -0.422 . . . . 74.33 110.874 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.5 -27.84 27.7 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.258 -0.428 . . . . 71.41 111.154 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.451 HG13 ' HB3' ' A' ' 2' ' ' LYS . 1.4 pp -61.49 -25.77 37.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 74.44 111.123 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 42.9 mt -57.2 -44.98 84.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.129 -0.487 . . . . 63.13 110.913 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.1 mtp85 -55.45 -30.89 61.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 75.54 110.889 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -74.13 -60.49 2.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 73.45 110.892 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.2 p -57.67 -29.82 35.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 55.51 111.138 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.66 -24.3 47.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.489 . . . . 71.55 111.095 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -87.67 -38.76 7.41 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.754 -0.736 . . . . 61.41 112.475 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 12.4 t80 -53.65 -47.15 70.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.855 0.359 . . . . 72.35 110.963 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -56.77 -28.16 60.81 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.084 -0.507 . . . . 75.54 110.809 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.4 mm -85.62 -34.13 8.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.193 -0.458 . . . . 53.52 111.132 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.08 -27.18 62.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 70.44 111.115 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 12.1 t -53.74 -34.89 60.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.237 -0.438 . . . . 30.13 110.879 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -80.16 -36.81 34.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 62.13 110.876 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 26.6 ttpt -52.24 -61.78 2.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.462 . . . . 61.21 110.855 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.2 tttp -167.79 134.27 2.1 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.261 -0.427 . . . . 64.32 110.927 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.24 -13.88 62.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.215 -0.448 . . . . 52.34 110.923 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 16.6 p -136.24 81.16 1.87 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 75.53 111.213 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -171.2 52.43 0.19 Allowed Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.731 -0.747 . . . . 50.33 112.489 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 104.76 115.16 4.05 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.697 -0.763 . . . . 73.31 112.491 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.468 ' HB3' ' HD2' ' A' ' 24' ' ' PRO . 41.5 m-85 -112.09 156.26 42.17 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.597 0.713 . . . . 73.33 110.899 -179.738 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.468 ' HD2' ' HB3' ' A' ' 23' ' ' TYR . 54.0 Cg_endo -69.71 -27.5 26.62 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.709 2.272 . . . . 74.1 112.307 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -115.08 -30.38 6.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.245 -0.434 . . . . 72.25 110.947 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.91 86.47 3.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 72.34 110.913 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.7 tmm_? -144.88 112.31 6.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 64.51 110.88 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 98.62 78.89 1.42 Allowed Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.748 -0.739 . . . . 65.51 112.503 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.36 -27.61 60.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.826 0.346 . . . . 52.24 110.948 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 72.01 111.13 179.806 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.817 0.341 . . . . 71.13 110.875 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.449 ' HB3' HG13 ' A' ' 4' ' ' ILE . 11.4 mttm -67.03 105.09 1.55 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 74.33 110.879 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.45 -27.95 27.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 71.41 111.102 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.449 HG13 ' HB3' ' A' ' 2' ' ' LYS . 1.4 pp -61.32 -25.92 37.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.252 -0.431 . . . . 74.44 111.169 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 42.8 mt -57.18 -44.93 84.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 63.13 110.9 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 27.6 mtm-85 -55.42 -30.96 61.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 75.54 110.878 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -74.09 -60.52 2.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 73.45 110.818 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.2 p -57.65 -29.85 35.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 55.51 111.09 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.72 -24.21 47.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 71.55 111.096 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -88.63 -36.17 8.09 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.732 -0.746 . . . . 61.41 112.481 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -54.21 -47.43 72.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.937 0.398 . . . . 72.35 110.965 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -57.15 -29.51 63.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.068 -0.514 . . . . 75.54 110.857 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 33.9 mm -83.87 -31.91 8.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 53.52 111.057 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.32 -25.81 61.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 70.44 111.138 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.0 t -52.93 -52.3 58.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 30.13 110.864 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 34.4 p80 -80.97 -29.75 35.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 62.13 110.788 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -57.09 -51.36 69.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 61.21 110.943 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.05 113.04 5.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 64.32 110.927 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.99 -13.93 60.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 52.34 110.866 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.2 t -139.26 121.47 15.86 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.277 -0.42 . . . . 75.53 111.11 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 131.57 59.97 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.737 -0.744 . . . . 50.33 112.482 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 142.28 156.31 6.75 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.804 -0.713 . . . . 73.31 112.489 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.461 ' HB3' ' HD2' ' A' ' 24' ' ' PRO . 40.7 m-85 -125.15 156.27 69.85 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.651 0.739 . . . . 73.33 110.936 -179.789 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.461 ' HD2' ' HB3' ' A' ' 23' ' ' TYR . 54.3 Cg_endo -69.77 -27.46 26.41 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.715 2.277 . . . . 74.1 112.354 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -115.15 -30.19 6.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.438 . . . . 72.25 110.929 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.01 86.44 3.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.279 -0.418 . . . . 72.34 110.933 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -104.22 -27.38 12.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 64.51 110.873 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 137.99 -20.83 3.2 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.751 -0.738 . . . . 65.51 112.419 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.48 -34.23 64.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.846 0.355 . . . . 52.24 110.873 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.232 0 CA-C-N 116.163 -0.472 . . . . 72.01 111.119 179.851 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.818 0.342 . . . . 71.13 110.89 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.448 ' HB3' HG13 ' A' ' 4' ' ' ILE . 0.0 OUTLIER -120.33 105.04 10.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 74.33 110.941 179.922 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.4 -27.97 27.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.441 . . . . 71.41 111.133 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.448 HG13 ' HB3' ' A' ' 2' ' ' LYS . 1.4 pp -61.39 -25.83 37.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 74.44 111.157 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 42.9 mt -57.19 -44.82 83.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 63.13 110.977 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 8.6 mtp180 -55.53 -30.92 61.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 75.54 110.83 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -74.1 -60.45 2.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 73.45 110.886 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.3 p -57.74 -29.84 35.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.105 -0.498 . . . . 55.51 111.097 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.6 -24.28 46.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 71.55 111.11 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -86.53 -31.59 18.41 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.768 -0.729 . . . . 61.41 112.416 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 23.3 t80 -58.49 -49.88 75.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.944 0.402 . . . . 72.35 110.965 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -56.25 -28.68 59.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 75.54 110.833 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 43.7 mm -84.47 -32.69 8.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 53.52 111.106 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.18 -26.43 60.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 70.44 111.164 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 18.1 m -57.04 -33.1 66.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 30.13 110.904 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 24.9 m170 -101.55 -56.06 2.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 62.13 110.891 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -53.81 -63.18 1.23 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 61.21 110.935 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 62.6 77.97 0.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 64.32 110.896 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.2 tmmt? -73.12 -13.74 61.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 52.34 110.869 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -152.57 86.04 1.26 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.245 -0.434 . . . . 75.53 111.121 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -74.97 -29.76 60.3 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.72 -0.752 . . . . 50.33 112.495 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -135.87 109.57 0.75 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.779 -0.724 . . . . 73.31 112.504 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.46 ' HB3' ' HD2' ' A' ' 24' ' ' PRO . 40.8 m-85 -83.89 156.3 64.28 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.586 0.708 . . . . 73.33 110.986 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.46 ' HD2' ' HB3' ' A' ' 23' ' ' TYR . 53.2 Cg_endo -69.84 -27.36 26.17 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.719 2.279 . . . . 74.1 112.302 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -115.15 -30.35 6.35 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.255 -0.43 . . . . 72.25 110.89 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.93 86.44 3.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.276 -0.42 . . . . 72.34 110.914 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.69 -27.94 14.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 64.51 110.88 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -74.57 87.89 0.73 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.727 -0.749 . . . . 65.51 112.451 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 28.1 mtpt -64.58 -39.76 94.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.75 0.309 . . . . 52.24 110.911 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 72.01 111.11 179.841 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 ttp . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.858 0.361 . . . . 71.13 110.887 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.452 ' HB3' HG13 ' A' ' 4' ' ' ILE . 44.8 mtmt -136.95 105.23 5.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 74.33 110.862 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.56 -27.83 28.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 71.41 111.114 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.452 HG13 ' HB3' ' A' ' 2' ' ' LYS . 1.4 pp -61.55 -25.79 37.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 74.44 111.107 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 43.4 mt -57.13 -45.02 83.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 63.13 110.865 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.1 mtp85 -55.37 -30.96 61.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 75.54 110.878 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -74.19 -60.42 2.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 73.45 110.843 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.3 p -57.71 -29.89 35.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 55.51 111.072 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.56 -24.35 46.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.44 . . . . 71.55 111.108 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -87.41 -36.34 8.85 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.744 -0.741 . . . . 61.41 112.424 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 16.9 t80 -53.78 -47.9 70.31 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.93 0.395 . . . . 72.35 110.892 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -56.36 -30.02 62.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.495 . . . . 75.54 110.88 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 35.8 mm -85.74 -31.33 6.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.443 . . . . 53.52 111.124 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.39 -29.32 63.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.472 . . . . 70.44 111.147 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 15.3 m -53.38 -38.47 63.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 30.13 110.855 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 44.1 m170 -90.18 -38.62 13.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.133 -0.485 . . . . 62.13 110.876 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.0 ttpt -53.9 -65.53 0.55 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 61.21 110.863 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -104.57 116.54 32.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.289 -0.414 . . . . 64.32 110.9 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.11 -13.82 51.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 52.34 110.945 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.6 t -149.84 136.13 18.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.469 . . . . 75.53 111.177 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 156.34 101.1 0.18 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.748 -0.739 . . . . 50.33 112.462 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -163.07 96.83 0.14 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.715 -0.755 . . . . 73.31 112.508 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.456 ' HB3' ' HD2' ' A' ' 24' ' ' PRO . 41.5 m-85 -124.91 156.34 69.07 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.685 0.755 . . . . 73.33 110.846 -179.734 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.456 ' HD2' ' HB3' ' A' ' 23' ' ' TYR . 53.3 Cg_endo -69.88 -27.38 25.99 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.647 2.231 . . . . 74.1 112.283 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -115.2 -30.23 6.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.264 -0.426 . . . . 72.25 110.914 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -100.96 86.42 3.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.264 -0.426 . . . . 72.34 110.915 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 21.1 tpt180 -152.41 118.95 5.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 64.51 110.863 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 131.58 160.82 9.94 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.767 -0.73 . . . . 65.51 112.494 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.1 pttt -74.89 -32.92 61.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.807 0.337 . . . . 52.24 110.914 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 72.01 111.094 179.82 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.873 0.368 . . . . 71.13 110.853 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.453 ' HB3' HG13 ' A' ' 4' ' ' ILE . 28.3 mtmt -144.88 105.14 4.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 74.33 110.875 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.45 -27.86 27.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 71.41 111.11 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.453 HG13 ' HB3' ' A' ' 2' ' ' LYS . 1.4 pp -61.53 -25.79 37.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.293 -0.412 . . . . 74.44 111.101 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 42.7 mt -57.13 -44.89 83.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 63.13 110.932 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.1 mtt-85 -55.51 -30.96 61.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.464 . . . . 75.54 110.878 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -74.11 -60.43 2.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 73.45 110.907 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.2 p -57.61 -29.95 35.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 55.51 111.115 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.63 -24.26 46.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 71.55 111.081 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -86.21 -31.51 19.59 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.754 -0.736 . . . . 61.41 112.477 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -56.55 -48.69 76.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.85 0.357 . . . . 72.35 110.911 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -55.96 -28.68 58.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.088 -0.506 . . . . 75.54 110.893 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.636 HG22 ' HG3' ' A' ' 17' ' ' LYS . 33.5 mm -84.28 -35.02 10.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 53.52 111.113 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.28 -25.29 63.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 70.44 111.104 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 30.9 t -52.04 -45.25 64.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 30.13 110.863 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 22.1 p80 -95.41 -38.36 10.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.089 -0.505 . . . . 62.13 110.869 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.636 ' HG3' HG22 ' A' ' 13' ' ' ILE . 10.5 mttm -64.55 -74.12 0.11 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.192 -0.458 . . . . 61.21 110.92 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.79 98.86 3.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 64.32 110.931 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.3 tmmt? -115.17 -13.87 11.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.309 -0.405 . . . . 52.34 110.879 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 69.8 p -95.12 41.35 1.1 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 75.53 111.238 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 89.81 -78.16 1.59 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.741 -0.742 . . . . 50.33 112.499 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 91.24 113.69 1.8 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.713 -0.755 . . . . 73.31 112.467 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.469 ' HB3' ' HD2' ' A' ' 24' ' ' PRO . 40.8 m-85 -104.69 156.29 36.17 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.718 0.77 . . . . 73.33 110.877 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.469 ' HD2' ' HB3' ' A' ' 23' ' ' TYR . 54.3 Cg_endo -69.67 -27.44 26.92 Favored 'Trans proline' 0 N--CA 1.465 -0.157 0 C-N-CA 122.691 2.261 . . . . 74.1 112.399 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -115.14 -30.38 6.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.204 -0.453 . . . . 72.25 110.952 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -100.92 86.4 3.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 72.34 110.921 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -128.38 97.67 4.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.495 . . . . 64.51 110.912 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -163.77 94.84 0.12 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.755 -0.736 . . . . 65.51 112.488 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.8 ptmm? -69.81 -31.87 69.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.834 0.35 . . . . 52.24 110.903 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 72.01 111.118 179.836 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.3 tpt . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.799 0.333 . . . . 71.13 110.903 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.45 ' HB3' HG13 ' A' ' 4' ' ' ILE . 41.6 mmtt -60.35 105.15 0.39 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.304 -0.407 . . . . 74.33 110.851 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.41 -27.98 27.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.289 -0.414 . . . . 71.41 111.173 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.45 HG13 ' HB3' ' A' ' 2' ' ' LYS . 1.4 pp -61.44 -25.79 37.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.453 . . . . 74.44 111.133 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 42.3 mt -57.15 -44.96 83.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 63.13 110.996 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 85.3 mtt180 -55.44 -30.9 61.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 75.54 110.876 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -74.11 -60.45 2.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 73.45 110.899 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.2 p -57.69 -29.84 35.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.096 -0.502 . . . . 55.51 111.152 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.57 -24.39 46.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 71.55 111.102 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -85.55 -36.27 10.83 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.753 -0.737 . . . . 61.41 112.516 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -54.14 -47.82 71.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.946 0.403 . . . . 72.35 110.936 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -56.58 -28.88 61.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.077 -0.51 . . . . 75.54 110.829 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 32.5 mm -86.15 -30.33 6.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 53.52 111.116 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.53 -27.3 62.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 70.44 111.061 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.61 -31.9 66.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 30.13 110.892 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 -92.89 -35.02 13.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 62.13 110.844 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.0 tptt -55.11 -43.32 73.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 61.21 110.912 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.2 tptp -157.08 129.7 7.54 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.21 -0.45 . . . . 64.32 110.956 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.5 tmmt? -104.22 -13.79 16.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 52.34 110.873 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 72.8 p -121.93 75.55 1.22 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 75.53 111.151 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -102.78 22.9 35.57 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.742 -0.742 . . . . 50.33 112.511 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 166.22 -94.43 0.11 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.777 -0.725 . . . . 73.31 112.494 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.465 ' HB3' ' HD2' ' A' ' 24' ' ' PRO . 41.9 m-85 -125.95 156.32 71.78 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.593 0.711 . . . . 73.33 110.925 -179.815 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.465 ' HD2' ' HB3' ' A' ' 23' ' ' TYR . 54.2 Cg_endo -69.73 -27.41 26.67 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.611 2.207 . . . . 74.1 112.392 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -115.15 -30.28 6.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.164 -0.471 . . . . 72.25 110.963 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -100.99 86.49 3.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.137 -0.483 . . . . 72.34 110.898 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.46 -27.58 66.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 64.51 110.912 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 152.73 130.64 1.57 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.773 -0.727 . . . . 65.51 112.517 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.2 ptmm? -113.18 -34.74 5.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.753 0.311 . . . . 52.24 110.834 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 72.01 111.059 179.846 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.1 mmm . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.794 0.33 . . . . 71.13 110.885 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.456 ' HB3' HG13 ' A' ' 4' ' ' ILE . 0.5 OUTLIER -109.38 105.23 14.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 74.33 110.905 179.935 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.5 -27.9 28.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.255 -0.43 . . . . 71.41 111.11 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.456 HG13 ' HB3' ' A' ' 2' ' ' LYS . 1.4 pp -61.56 -25.64 37.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 74.44 111.178 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 43.4 mt -57.35 -44.86 84.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 63.13 110.914 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 31.6 mtp85 -55.46 -30.92 61.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.204 -0.453 . . . . 75.54 110.844 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -74.12 -60.39 2.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 73.45 110.916 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.4 p -57.77 -29.89 36.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 55.51 111.067 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.47 -24.38 45.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 71.55 111.139 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -86.1 -34.12 13.39 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.811 -0.709 . . . . 61.41 112.534 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 13.9 t80 -54.27 -46.77 72.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.937 0.398 . . . . 72.35 110.965 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -55.68 -29.33 59.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 75.54 110.819 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 30.2 mm -85.92 -33.44 7.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 53.52 111.153 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.73 -25.44 63.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 70.44 111.079 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 74.5 m -52.95 -34.28 54.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 30.13 110.892 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 -102.75 -43.26 5.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 62.13 110.826 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.9 mmtm -60.1 -72.33 0.11 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.256 -0.429 . . . . 61.21 110.855 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.2 98.8 9.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 64.32 110.995 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -100.2 -13.83 18.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 52.34 110.911 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.7 t -160.62 143.8 13.32 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.243 -0.435 . . . . 75.53 111.078 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -174.58 72.82 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.741 -0.742 . . . . 50.33 112.517 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -133.83 87.47 0.26 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.785 -0.721 . . . . 73.31 112.531 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.47 ' HB3' ' HD2' ' A' ' 24' ' ' PRO . 40.9 m-85 -95.97 156.24 37.39 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.68 0.752 . . . . 73.33 110.903 -179.783 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.47 ' HD2' ' HB3' ' A' ' 23' ' ' TYR . 53.7 Cg_endo -69.69 -27.38 26.85 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.663 2.242 . . . . 74.1 112.373 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -115.23 -30.29 6.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 72.25 110.869 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.99 86.56 3.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 72.34 110.875 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.15 115.69 6.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.485 . . . . 64.51 110.871 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 140.97 135.04 3.13 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.797 -0.716 . . . . 65.51 112.549 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.1 mmtp -80.97 -73.24 0.38 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.826 0.346 . . . . 52.24 110.923 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.266 -0.424 . . . . 72.01 111.062 179.821 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.823 0.344 . . . . 71.13 110.887 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.443 ' HB3' HG13 ' A' ' 4' ' ' ILE . 4.2 mttm -77.69 105.05 8.6 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.287 -0.415 . . . . 74.33 110.92 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.4 -27.88 26.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 71.41 111.187 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.443 HG13 ' HB3' ' A' ' 2' ' ' LYS . 1.4 pp -61.5 -25.76 37.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 74.44 111.13 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 42.8 mt -57.16 -45.0 83.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.436 . . . . 63.13 110.902 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 29.9 mtt180 -55.35 -30.98 61.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 75.54 110.906 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -74.15 -60.42 2.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 73.45 110.897 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.3 p -57.75 -29.77 35.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 55.51 111.117 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.61 -24.36 47.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.247 -0.433 . . . . 71.55 111.087 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -85.06 -35.27 12.74 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.779 -0.724 . . . . 61.41 112.446 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -54.48 -45.83 73.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.931 0.396 . . . . 72.35 110.943 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -60.03 -28.93 68.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 75.54 110.857 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 35.4 mm -82.85 -35.33 12.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 53.52 111.136 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.54 -25.27 61.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 70.44 111.068 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.8 t -64.57 -36.3 83.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 30.13 110.892 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 24.9 m170 -106.88 25.48 11.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.48 . . . . 62.13 110.905 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.7 ttmt -63.59 -51.13 66.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 61.21 110.87 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -137.6 69.76 1.4 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 64.32 110.881 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -101.67 -13.84 17.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 52.34 110.875 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.0 t -171.16 134.83 0.94 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 75.53 111.143 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 69.46 98.57 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.704 -0.76 . . . . 50.33 112.457 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -95.11 -75.99 1.3 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.706 -0.759 . . . . 73.31 112.481 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.463 ' HB3' ' HD2' ' A' ' 24' ' ' PRO . 40.8 m-85 -123.93 156.23 65.95 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.649 0.738 . . . . 73.33 110.966 -179.813 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.463 ' HD2' ' HB3' ' A' ' 23' ' ' TYR . 53.8 Cg_endo -69.71 -27.41 26.74 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.658 2.239 . . . . 74.1 112.388 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -115.17 -30.32 6.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 72.25 110.898 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -101.02 86.52 3.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.312 -0.404 . . . . 72.34 110.932 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -136.58 110.75 8.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 64.51 110.83 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -159.23 -144.73 4.04 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.81 -0.709 . . . . 65.51 112.531 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.32 -31.98 22.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.779 0.323 . . . . 52.24 110.876 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 72.01 111.109 179.82 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mtt . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.834 0.35 . . . . 71.13 110.872 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.454 ' HB3' HG13 ' A' ' 4' ' ' ILE . 1.1 mmpt? -97.41 104.05 16.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.29 -0.414 . . . . 74.33 110.923 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.15 -28.25 25.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.236 -0.438 . . . . 71.41 111.089 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.454 HG13 ' HB3' ' A' ' 2' ' ' LYS . 1.5 pp -60.7 -26.53 38.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.43 . . . . 74.44 111.093 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 44.8 mt -56.63 -44.89 81.68 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.231 -0.44 . . . . 63.13 110.856 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 14.7 mtp85 -55.51 -31.27 61.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 75.54 110.853 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -73.97 -60.48 2.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 73.45 110.966 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.3 p -57.63 -29.79 35.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.093 -0.503 . . . . 55.51 111.153 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.6 -24.31 46.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 71.55 111.112 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -86.89 -35.22 10.15 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.696 -0.764 . . . . 61.41 112.509 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -53.87 -47.8 70.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.948 0.404 . . . . 72.35 111.01 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -57.11 -28.78 62.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.066 -0.515 . . . . 75.54 110.901 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 33.4 mm -84.53 -30.83 7.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 53.52 111.186 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.69 -27.11 62.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 70.44 111.153 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 50.8 m -53.6 -38.49 64.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 30.13 110.859 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 46.8 m-70 -77.57 -41.58 38.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.076 -0.511 . . . . 62.13 110.851 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.94 -60.72 2.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 61.21 110.948 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.3 tttp -136.36 125.82 25.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 64.32 110.937 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -106.39 -13.82 15.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 52.34 110.829 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 41.2 p -116.42 69.44 0.75 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.252 -0.431 . . . . 75.53 111.158 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 178.74 62.36 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.8 -0.714 . . . . 50.33 112.526 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -135.3 100.23 0.35 Allowed Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.778 -0.725 . . . . 73.31 112.52 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.449 ' HB3' ' HD2' ' A' ' 24' ' ' PRO . 40.9 m-85 -114.0 156.26 44.24 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.697 0.761 . . . . 73.33 110.934 -179.807 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.449 ' HD2' ' HB3' ' A' ' 23' ' ' TYR . 53.9 Cg_endo -69.7 -27.41 26.78 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.698 2.265 . . . . 74.1 112.416 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -115.13 -30.35 6.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 72.25 110.905 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -101.03 86.48 3.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.282 -0.417 . . . . 72.34 110.864 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -78.02 -27.43 48.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.088 -0.505 . . . . 64.51 110.867 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -166.14 167.96 39.59 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.748 -0.739 . . . . 65.51 112.506 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.45 -27.0 63.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.79 0.329 . . . . 52.24 110.851 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 72.01 111.114 179.803 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 tpt . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.885 0.374 . . . . 71.13 110.829 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.451 ' HB3' HG13 ' A' ' 4' ' ' ILE . 11.9 mttp -56.9 104.09 0.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.276 -0.42 . . . . 74.33 110.909 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.07 -28.29 24.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.28 -0.418 . . . . 71.41 111.16 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.451 HG13 ' HB3' ' A' ' 2' ' ' LYS . 1.4 pp -60.76 -26.46 38.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 74.44 111.108 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 43.6 mt -56.64 -44.89 81.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.191 -0.459 . . . . 63.13 110.976 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 19.1 mmm180 -55.5 -31.2 61.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 75.54 110.903 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -74.04 -60.5 2.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 73.45 110.901 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.2 p -57.59 -29.62 34.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 55.51 111.094 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.61 -24.27 46.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 71.55 111.108 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -87.45 -33.62 11.4 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.819 -0.705 . . . . 61.41 112.503 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 16.5 t80 -55.49 -50.35 70.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.868 0.366 . . . . 72.35 110.923 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -55.63 -28.99 58.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.147 -0.479 . . . . 75.54 110.882 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 35.2 mm -84.17 -35.15 10.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.434 . . . . 53.52 111.121 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.9 -22.73 65.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 70.44 111.131 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 17.6 t -51.96 -41.13 61.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 30.13 110.852 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -109.3 -25.79 10.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.084 -0.507 . . . . 62.13 110.781 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.1 ttmm -75.16 -60.47 2.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 61.21 110.91 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.5 tttp -134.96 91.29 2.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.268 -0.424 . . . . 64.32 110.945 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.04 -13.9 34.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.183 -0.462 . . . . 52.34 110.881 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 14.8 t -162.05 137.97 7.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 75.53 111.177 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 172.09 -52.19 0.17 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.683 -0.77 . . . . 50.33 112.466 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 101.34 136.56 9.36 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.738 -0.744 . . . . 73.31 112.504 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.467 ' HB3' ' HD2' ' A' ' 24' ' ' PRO . 41.5 m-85 -108.04 156.32 38.51 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.606 0.717 . . . . 73.33 110.979 -179.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.467 ' HD2' ' HB3' ' A' ' 23' ' ' TYR . 53.6 Cg_endo -69.81 -27.35 26.36 Favored 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.689 2.259 . . . . 74.1 112.329 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -115.22 -30.22 6.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.232 -0.44 . . . . 72.25 110.886 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.13 86.52 3.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.261 -0.427 . . . . 72.34 110.865 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.8 tmm_? -62.43 -28.15 69.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 64.51 110.884 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -172.26 -141.72 3.51 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.75 -0.738 . . . . 65.51 112.509 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 28.0 mmtt -86.19 -72.67 0.49 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.759 0.314 . . . . 52.24 110.833 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 72.01 111.133 179.843 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.858 0.361 . . . . 71.13 110.842 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.452 ' HB3' HG13 ' A' ' 4' ' ' ILE . 5.8 mttm -141.24 105.02 4.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 74.33 110.851 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.37 -27.98 26.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.471 . . . . 71.41 111.195 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.452 HG13 ' HB3' ' A' ' 2' ' ' LYS . 1.4 pp -61.38 -25.85 37.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 74.44 111.131 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 42.6 mt -57.16 -44.88 83.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 63.13 110.98 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 9.5 mtp180 -55.42 -30.98 61.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 75.54 110.866 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -74.04 -60.52 2.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 73.45 110.901 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.1 p -57.61 -29.82 35.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.134 -0.485 . . . . 55.51 111.133 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.72 -24.22 48.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 71.55 111.019 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -86.08 -35.7 10.83 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.815 -0.707 . . . . 61.41 112.431 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 12.4 t80 -54.08 -47.6 71.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.87 0.367 . . . . 72.35 110.937 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -57.19 -28.31 62.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.093 -0.503 . . . . 75.54 110.855 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 31.8 mm -84.64 -36.76 11.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 53.52 111.142 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.88 -25.62 61.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.144 -0.48 . . . . 70.44 111.091 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 63.7 m -56.4 -29.15 61.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 30.13 110.827 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 44.9 m170 -101.9 -32.94 9.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.488 . . . . 62.13 110.843 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.6 mmmt -77.75 -72.47 0.36 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 61.21 110.851 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.27 133.59 1.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 64.32 110.867 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.2 tptm -143.75 116.76 8.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 52.34 110.893 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 14.2 t -114.54 20.01 15.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 75.53 111.174 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 77.59 -82.02 1.2 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.769 -0.729 . . . . 50.33 112.477 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 97.47 26.9 9.57 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.726 -0.75 . . . . 73.31 112.522 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.466 ' HB3' ' HD2' ' A' ' 24' ' ' PRO . 42.1 m-85 -90.21 156.31 46.26 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.725 0.774 . . . . 73.33 110.966 -179.809 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.466 ' HD2' ' HB3' ' A' ' 23' ' ' TYR . 53.9 Cg_endo -69.71 -27.47 26.67 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.724 2.283 . . . . 74.1 112.321 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -115.07 -30.69 6.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 72.25 110.931 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.85 23.84 7.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.278 -0.419 . . . . 72.34 110.921 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 15.8 tpt180 -51.67 -75.19 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.129 -0.487 . . . . 64.51 110.866 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -164.98 111.0 0.44 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.735 -0.745 . . . . 65.51 112.504 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.6 pttm -93.78 -27.36 16.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.829 0.347 . . . . 52.24 110.956 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 72.01 111.132 179.772 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.872 0.367 . . . . 71.13 110.868 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.447 ' HB3' HG13 ' A' ' 4' ' ' ILE . 9.3 mmtt -92.09 105.11 17.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.446 . . . . 74.33 110.942 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.52 -27.86 28.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.274 -0.421 . . . . 71.41 111.099 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.447 HG13 ' HB3' ' A' ' 2' ' ' LYS . 1.4 pp -61.47 -25.76 37.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 74.44 111.141 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 42.2 mt -57.14 -45.06 83.84 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.138 -0.483 . . . . 63.13 110.95 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.4 mtp85 -55.35 -30.93 61.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.481 . . . . 75.54 110.954 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -74.12 -60.49 2.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 73.45 110.855 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.3 p -57.7 -29.83 35.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 55.51 111.165 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.66 -24.28 47.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 71.55 111.121 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -87.63 -25.14 33.59 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.8 -0.714 . . . . 61.41 112.498 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -63.83 -48.92 74.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.93 0.395 . . . . 72.35 110.916 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -57.14 -28.43 62.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.093 -0.503 . . . . 75.54 110.841 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 31.6 mm -83.35 -32.68 9.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.451 . . . . 53.52 111.104 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.97 -25.77 59.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 70.44 111.14 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 28.1 m -56.62 -50.17 72.8 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.19 -0.459 . . . . 30.13 110.857 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 34.1 p80 -82.13 -33.88 29.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 62.13 110.914 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.4 ttpt -55.25 -40.03 70.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 61.21 110.92 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.28 141.79 5.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 64.32 110.847 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -179.32 139.65 0.15 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 52.34 110.879 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 30.8 p -146.9 -171.04 3.68 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.194 -0.457 . . . . 75.53 111.128 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -139.87 77.67 0.31 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.789 -0.719 . . . . 50.33 112.504 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 97.2 115.01 3.25 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.75 -0.738 . . . . 73.31 112.47 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.452 ' HB3' ' HD2' ' A' ' 24' ' ' PRO . 41.0 m-85 -92.84 156.29 40.86 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.757 0.789 . . . . 73.33 110.884 -179.787 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.452 ' HD2' ' HB3' ' A' ' 23' ' ' TYR . 53.4 Cg_endo -69.83 -27.34 26.24 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.66 2.24 . . . . 74.1 112.352 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -115.15 -30.34 6.36 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.185 -0.461 . . . . 72.25 110.905 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -100.94 86.46 3.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 72.34 110.896 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.4 tmm_? -98.57 -26.74 14.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 64.51 110.861 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -154.96 126.08 1.81 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.654 -0.784 . . . . 65.51 112.457 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -91.99 -27.44 17.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.772 0.32 . . . . 52.24 110.857 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.432 . . . . 72.01 111.087 179.87 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.816 0.341 . . . . 71.13 110.91 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.435 ' HB3' HG13 ' A' ' 4' ' ' ILE . 22.9 mttm -69.25 143.23 53.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 74.33 110.87 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.49 -18.47 33.44 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.202 -0.454 . . . . 71.41 111.164 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.435 HG13 ' HB3' ' A' ' 2' ' ' LYS . 2.7 pp -75.05 -22.22 16.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 74.44 111.072 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.401 ' HA ' HG12 ' A' ' 8' ' ' VAL . 21.5 mt -52.89 -48.78 66.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.461 . . . . 63.13 110.939 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.1 mtt85 -55.98 -33.26 64.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 75.54 110.896 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -74.12 -60.71 2.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 73.45 110.846 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.401 HG12 ' HA ' ' A' ' 5' ' ' LEU . 7.7 p -56.49 -27.91 25.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 55.51 111.14 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.2 -22.64 63.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 71.55 111.113 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -88.41 -26.17 28.66 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.722 -0.751 . . . . 61.41 112.508 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -64.47 -49.06 72.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.91 0.386 . . . . 72.35 110.937 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -54.97 -27.77 46.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.125 -0.489 . . . . 75.54 110.865 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 28.1 mm -85.8 -29.45 6.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 53.52 111.158 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.02 -25.23 62.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 70.44 111.115 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.4 m -58.13 -43.3 87.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 30.13 110.88 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 35.4 m170 -79.69 -37.75 35.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 62.13 110.811 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.5 ttpt -56.14 -35.02 66.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 61.21 110.947 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.9 tttm 61.69 91.04 0.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 64.32 110.884 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.54 -13.75 62.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 52.34 110.935 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 82.7 p -83.97 78.93 9.65 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.223 -0.444 . . . . 75.53 111.148 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 163.27 48.23 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.795 -0.716 . . . . 50.33 112.511 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -148.97 38.86 0.96 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.76 -0.733 . . . . 73.31 112.503 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.457 ' HB3' ' HD2' ' A' ' 24' ' ' PRO . 41.1 m-85 -116.53 156.33 47.66 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.739 0.78 . . . . 73.33 110.873 -179.779 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.457 ' HD2' ' HB3' ' A' ' 23' ' ' TYR . 53.9 Cg_endo -69.75 -27.41 26.56 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.605 2.203 . . . . 74.1 112.387 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -115.1 -30.35 6.37 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.2 -0.454 . . . . 72.25 110.916 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.07 86.55 3.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 72.34 110.867 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.73 -26.23 19.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.497 . . . . 64.51 110.907 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -91.64 -159.49 35.49 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.678 -0.773 . . . . 65.51 112.478 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -104.55 -31.49 9.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.815 0.34 . . . . 52.24 110.902 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.24 -0.436 . . . . 72.01 111.102 179.878 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 35.3 mtm . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.893 0.378 . . . . 71.13 110.881 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.448 ' HB3' HG13 ' A' ' 4' ' ' ILE . 11.5 mttp -122.43 104.99 9.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 74.33 110.887 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.42 -27.9 27.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 71.41 111.124 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.448 HG13 ' HB3' ' A' ' 2' ' ' LYS . 1.4 pp -61.53 -25.69 37.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.221 -0.445 . . . . 74.44 111.136 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 43.7 mt -57.23 -44.93 84.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 63.13 110.88 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 9.4 mtp85 -55.42 -30.93 61.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 75.54 110.966 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -74.13 -60.53 2.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 73.45 110.861 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.3 p -57.68 -29.81 35.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.137 -0.483 . . . . 55.51 111.153 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.62 -24.31 47.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 71.55 111.092 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -86.74 -34.95 10.63 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.735 -0.745 . . . . 61.41 112.428 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -54.19 -47.35 72.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.926 0.393 . . . . 72.35 110.944 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -58.12 -29.04 65.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.07 -0.514 . . . . 75.54 110.855 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 35.5 mm -84.18 -37.26 12.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 53.52 111.073 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.04 -25.91 61.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 70.44 111.016 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.74 -55.31 27.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.263 -0.426 . . . . 30.13 110.809 -179.715 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 30.8 p80 -78.1 -28.11 48.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 62.13 110.915 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.92 -67.43 0.34 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 61.21 110.989 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -96.63 71.29 2.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 64.32 110.938 179.751 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.4 tmmt? -104.91 11.13 33.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.479 . . . . 52.34 110.927 179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.1 t -166.74 138.21 3.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.426 . . . . 75.53 111.15 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 174.93 -79.87 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.734 -0.745 . . . . 50.33 112.448 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 83.44 126.53 1.19 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.776 -0.726 . . . . 73.31 112.514 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.46 ' HB3' ' HD2' ' A' ' 24' ' ' PRO . 40.5 m-85 -104.86 156.27 36.26 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.691 0.757 . . . . 73.33 110.9 -179.779 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.46 ' HD2' ' HB3' ' A' ' 23' ' ' TYR . 53.7 Cg_endo -69.75 -27.37 26.59 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.662 2.241 . . . . 74.1 112.387 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -115.15 -30.33 6.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 72.25 110.954 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -100.91 86.46 3.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 72.34 110.954 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.79 25.31 10.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 64.51 110.841 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -130.16 91.28 0.3 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.698 -0.763 . . . . 65.51 112.483 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.5 pttt -53.33 -34.18 56.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.815 0.34 . . . . 52.24 110.97 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.276 -0.42 . . . . 72.01 111.106 179.778 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.824 0.345 . . . . 71.13 110.899 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.47 ' HB3' HG13 ' A' ' 4' ' ' ILE . 66.0 mttt -146.23 105.05 3.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 74.33 110.959 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.37 -27.99 26.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 71.41 111.129 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.47 HG13 ' HB3' ' A' ' 2' ' ' LYS . 1.4 pp -61.37 -25.83 37.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 74.44 111.094 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 42.5 mt -57.17 -45.0 84.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 63.13 110.896 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 32.0 mtt180 -55.34 -31.01 61.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 75.54 110.879 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -74.02 -60.49 2.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 73.45 110.888 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.1 p -57.87 -29.26 35.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.066 -0.515 . . . . 55.51 111.115 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.19 -25.42 32.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 71.55 111.078 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -89.11 -26.26 26.7 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.737 -0.744 . . . . 61.41 112.45 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 20.8 t80 -59.04 -40.64 85.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.835 0.35 . . . . 72.35 110.888 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -55.49 -30.71 61.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.144 -0.48 . . . . 75.54 110.825 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.9 mp -86.84 -33.79 7.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 53.52 111.13 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.49 -26.05 62.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 70.44 111.139 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 74.9 m -56.81 -33.25 66.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.471 . . . . 30.13 110.867 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 38.7 m-70 -95.09 -42.47 8.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.082 -0.508 . . . . 62.13 110.857 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.43 -32.78 51.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 61.21 110.898 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.05 69.39 7.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 64.32 110.947 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.8 tmmt? -89.84 -13.79 35.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 52.34 110.969 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 14.2 t -137.47 20.0 2.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 75.53 111.122 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 81.15 -91.51 1.43 Allowed Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.818 -0.706 . . . . 50.33 112.521 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 95.97 34.46 5.93 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.746 -0.74 . . . . 73.31 112.445 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.453 ' HB3' ' HD2' ' A' ' 24' ' ' PRO . 40.9 m-85 -124.31 156.32 67.11 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.664 0.745 . . . . 73.33 110.942 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.453 ' HD2' ' HB3' ' A' ' 23' ' ' TYR . 53.6 Cg_endo -69.75 -27.46 26.51 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.74 2.293 . . . . 74.1 112.314 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -115.14 -30.26 6.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 72.25 110.922 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -100.99 86.52 3.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.292 -0.413 . . . . 72.34 110.849 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.9 -27.0 13.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 64.51 110.899 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 168.53 -171.83 42.81 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.713 -0.756 . . . . 65.51 112.489 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.4 mmtp -71.36 -72.85 0.2 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.779 0.323 . . . . 52.24 110.912 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 72.01 111.062 179.869 . . . . . . . . 0 0 . 1 stop_ save_