data_6e1l_residue ############################ # Computer software used # ############################ save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 6e1l _Structure_validation_residue.Date_analyzed 2019-02-01 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 18.8 p . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.878 0.371 . . . . 71.12 110.881 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -62.56 -44.64 95.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 75.24 111.089 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 -65.24 -48.18 74.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 73.04 110.903 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -51.38 -31.97 24.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 74.32 111.109 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 68.0 t -50.23 -35.31 11.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 72.51 111.093 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -51.63 -62.76 1.43 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.18 -0.463 . . . . 74.22 110.91 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.89 -40.97 68.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.098 -0.501 . . . . 73.54 111.135 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.3 m -53.21 -35.87 60.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 43.24 110.87 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -51.79 -35.18 42.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 74.31 110.866 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.44 -46.19 76.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 70.53 111.136 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 159.59 60.65 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.754 -0.736 . . . . 74.35 112.481 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -146.08 174.93 10.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.85 0.357 . . . . 73.3 110.927 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.67 155.3 27.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 75.51 111.101 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -91.87 107.85 19.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 74.33 110.924 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.5 m -112.79 174.8 5.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 73.24 110.938 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 53.3 mtm180 -95.39 88.82 5.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 74.21 110.865 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -60.0 -172.01 0.62 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.75 -0.738 . . . . 34.33 112.496 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.9 pp -64.61 -38.43 90.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.81 0.338 . . . . 64.13 110.911 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 9.1 t-80 -77.08 -46.4 23.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 73.22 110.837 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 167.16 -47.01 0.25 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.703 -0.761 . . . . 64.44 112.475 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -130.31 136.01 48.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.898 0.38 . . . . 75.42 110.925 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -170.39 136.1 3.82 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.748 -0.739 . . . . 72.02 112.475 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 53.9 m -71.02 142.44 50.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.881 0.372 . . . . 71.23 110.857 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 3.4 m . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 71.14 110.885 179.962 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 5.9 p . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.844 0.355 . . . . 71.32 110.902 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -68.88 -52.81 25.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 75.55 111.134 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -61.24 -43.34 99.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 75.14 110.889 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -51.48 -31.93 25.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 73.53 111.042 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 93.0 t -50.49 -37.01 14.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.271 -0.422 . . . . 74.22 111.101 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -51.91 -62.7 1.47 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 75.34 110.925 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 68.4 p -69.7 -35.54 75.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.098 -0.501 . . . . 65.01 111.181 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.2 m -58.47 -36.32 73.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 62.53 110.849 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -51.92 -35.93 47.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 75.04 110.875 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.49 -37.33 67.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 73.32 111.099 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 147.5 59.41 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.714 -0.755 . . . . 54.12 112.51 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -146.03 174.92 10.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.839 0.352 . . . . 73.33 110.913 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.69 155.39 32.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 75.33 111.145 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 53.5 t -75.76 119.74 20.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 72.14 110.895 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 28.0 p -140.57 170.93 14.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 75.12 110.896 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 59.4 mtm180 -90.8 98.95 12.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.457 . . . . 75.34 110.902 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.27 170.66 37.77 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.708 -0.758 . . . . 71.14 112.505 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -51.86 -33.92 38.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.857 0.36 . . . . 73.55 110.903 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 23.2 m-70 -80.56 -45.05 18.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 75.32 110.872 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 163.88 -50.64 0.3 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.711 -0.757 . . . . 54.14 112.493 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -126.91 130.31 49.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.977 0.418 . . . . 75.05 110.917 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -170.61 168.51 41.57 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.706 -0.759 . . . . 73.01 112.478 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 68.8 m -102.81 145.43 29.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.893 0.377 . . . . 74.22 110.863 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 65.6 m . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 72.32 110.916 179.966 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 26.7 p . . . . . 0 N--CA 1.458 -0.071 0 CA-C-O 120.846 0.355 . . . . 74.21 110.871 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -52.17 -52.83 49.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 71.13 111.11 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -66.89 -45.3 78.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.226 -0.443 . . . . 71.33 110.884 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -51.5 -31.94 25.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 75.03 111.122 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 95.4 t -50.0 -34.77 10.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 71.32 111.166 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -51.86 -62.71 1.46 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.137 -0.483 . . . . 72.0 110.943 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.6 m -73.24 -44.55 59.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 63.42 111.135 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 94.4 m -51.67 -35.15 41.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 70.22 110.892 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.2 mtt-85 -51.62 -34.88 39.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 75.53 110.91 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.47 -52.88 62.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 74.35 111.152 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -176.41 64.68 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.694 -0.765 . . . . 65.3 112.428 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -160.78 162.65 32.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.889 0.376 . . . . 73.05 110.909 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -125.13 155.17 40.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 64.22 111.149 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.4 t -80.47 134.94 36.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 72.23 110.896 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.7 m -137.15 176.23 8.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 54.3 110.854 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.9 mpp_? -79.63 105.07 10.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 75.45 110.865 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -79.2 172.2 55.13 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.722 -0.752 . . . . 45.41 112.479 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.8 mp -55.17 -42.0 72.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.885 0.374 . . . . 73.44 110.963 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 9.4 t-160 -78.04 -38.58 44.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.156 -0.475 . . . . 74.01 110.859 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 167.91 -48.83 0.24 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.717 -0.754 . . . . 75.23 112.464 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -129.71 153.11 48.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.944 0.402 . . . . 72.23 110.927 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 159.78 132.88 1.41 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.718 -0.753 . . . . 72.11 112.485 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 2.6 m -60.41 143.8 52.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.852 0.358 . . . . 73.1 110.865 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 12.2 m . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 75.32 110.846 180.0 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 5.6 p . . . . . 0 N--CA 1.457 -0.078 0 CA-C-O 120.906 0.384 . . . . 71.44 110.854 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.44 -52.82 7.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.484 . . . . 51.44 111.08 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -74.97 -37.43 61.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 62.53 110.905 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -51.38 -31.79 23.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 71.52 111.153 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 93.8 t -50.17 -35.5 11.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 60.12 111.099 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -51.72 -60.85 2.69 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.214 -0.448 . . . . 72.33 110.917 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 78.9 p -72.06 -35.57 69.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.117 -0.492 . . . . 74.34 111.134 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -51.86 -35.09 43.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 61.0 110.899 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.8 mmm180 -51.34 -34.89 35.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 74.31 110.91 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.46 -50.8 68.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 51.12 111.085 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 160.02 61.18 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.759 -0.734 . . . . 74.1 112.482 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -136.91 174.92 10.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.852 0.358 . . . . 72.01 110.932 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 64.8 p -129.03 130.2 46.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 72.24 111.127 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 17.7 t -55.14 117.9 3.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.453 . . . . 60.13 110.884 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 80.2 m -122.16 169.17 11.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 75.31 110.839 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 33.7 mtp85 -102.59 73.31 1.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 65.41 110.874 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -58.99 -172.75 0.46 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.736 -0.745 . . . . 74.35 112.488 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 13.6 mt -58.37 -53.82 53.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.833 0.349 . . . . 74.21 110.893 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 20.0 t60 -51.99 -47.76 64.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 75.32 110.887 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 153.19 -50.76 0.49 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.75 -0.738 . . . . 72.24 112.536 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -130.33 137.38 49.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.897 0.38 . . . . 73.2 110.911 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 174.88 131.67 1.46 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.752 -0.737 . . . . 71.25 112.479 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 14.7 m -73.86 125.18 27.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.897 0.38 . . . . 44.54 110.892 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 20.3 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 64.41 110.878 -179.997 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 24.4 p . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.813 0.339 . . . . 74.25 110.865 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -57.18 -52.76 64.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 72.51 111.091 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -68.9 -36.14 77.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 64.44 110.835 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.49 -31.71 69.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.424 . . . . 61.32 111.079 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 97.9 t -50.24 -35.09 11.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 73.22 111.116 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -51.72 -62.73 1.45 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 73.15 110.903 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 23.4 p -72.84 -43.89 62.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 74.21 111.124 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 88.8 m -51.79 -35.38 43.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 73.33 110.889 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.3 mtm180 -51.48 -33.3 30.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 74.11 110.838 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.16 -35.36 64.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 75.2 111.105 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 160.59 68.98 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.782 -0.723 . . . . 53.53 112.525 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -149.27 174.88 11.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.893 0.378 . . . . 61.33 110.889 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 47.8 p -129.95 122.79 29.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 65.5 111.182 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -78.37 107.86 11.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 75.43 110.921 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.8 m -104.82 176.31 5.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 73.23 110.902 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.5 92.75 9.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 63.45 110.827 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -72.33 176.31 41.64 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.687 -0.768 . . . . 74.24 112.485 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.0 mt -52.0 -60.87 2.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.833 0.349 . . . . 71.14 110.937 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 57.9 m80 -54.53 -37.09 64.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 74.42 110.875 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 160.35 -50.36 0.37 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.756 -0.735 . . . . 74.31 112.487 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -130.31 158.07 40.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.891 0.377 . . . . 74.3 110.93 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 169.79 130.36 1.2 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.754 -0.736 . . . . 71.11 112.475 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.3 m -72.94 125.37 27.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.889 0.376 . . . . 72.44 110.885 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 36.4 m . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 72.53 110.896 179.978 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 5.4 p . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.876 0.37 . . . . 63.11 110.865 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.02 -51.2 9.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 74.44 111.066 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -84.43 -34.13 23.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.288 -0.415 . . . . 72.31 110.847 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -50.54 -31.89 16.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 63.13 111.143 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 10.7 p -50.1 -32.2 8.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 74.34 111.126 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -51.99 -62.68 1.48 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 63.33 110.955 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.0 m -71.52 -37.83 71.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 73.14 111.122 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.3 m -55.4 -36.0 65.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 75.14 110.88 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.3 mtt85 -51.99 -35.89 48.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 73.43 110.878 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.52 -36.23 66.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 60.41 111.104 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 146.56 67.68 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.77 -0.729 . . . . 72.55 112.508 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -143.59 174.91 10.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.882 0.372 . . . . 75.31 110.916 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.7 p -115.67 128.23 55.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 72.01 111.111 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -68.93 110.13 4.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.435 . . . . 62.13 110.848 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 25.8 p -127.82 176.24 7.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 73.4 110.899 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.8 mmm180 -71.24 116.67 11.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 73.52 110.84 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -81.57 -178.07 52.17 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.741 -0.742 . . . . 52.21 112.506 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.8 mt -64.33 -47.67 78.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.765 0.317 . . . . 73.14 110.89 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 47.8 t-80 -84.26 -38.99 19.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 64.31 110.813 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -172.53 -50.78 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.757 -0.735 . . . . 64.45 112.47 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -130.28 152.01 50.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.959 0.409 . . . . 74.22 110.878 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -170.69 145.24 8.87 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.773 -0.727 . . . . 53.14 112.533 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 57.5 m -80.8 125.82 30.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.83 0.347 . . . . 72.12 110.892 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 62.43 110.853 -179.969 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 11.9 p . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.854 0.359 . . . . 74.02 110.894 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -68.03 -52.81 31.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 73.42 111.132 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -84.36 -34.24 23.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 74.5 110.846 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -50.52 -31.97 17.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 65.43 111.11 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 10.6 p -49.88 -32.13 7.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 74.11 111.166 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -51.97 -61.51 2.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 72.12 110.947 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 43.1 p -72.38 -44.21 62.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.13 -0.486 . . . . 63.15 111.188 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 78.4 m -51.92 -35.97 47.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 74.31 110.839 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.4 mmt180 -51.88 -35.85 46.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 74.0 110.885 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.53 -52.97 61.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 64.33 111.082 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -178.59 63.29 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.726 -0.75 . . . . 72.31 112.486 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -160.73 153.94 21.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.868 0.366 . . . . 75.11 110.894 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.67 155.3 27.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 63.41 111.115 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.7 t -79.51 135.03 36.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 61.31 110.855 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 58.6 m -130.69 163.45 27.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 75.54 110.867 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 52.6 ttp85 -82.21 82.59 7.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 73.41 110.879 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -61.07 -178.51 2.4 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.717 -0.754 . . . . 74.13 112.473 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 22.0 mt -58.82 -53.82 54.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.89 0.376 . . . . 72.22 110.972 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 10.7 t-160 -60.0 -54.59 44.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 71.21 110.842 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 176.85 -49.96 0.11 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.74 -0.743 . . . . 72.21 112.454 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 33.7 m-85 -129.26 146.91 51.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.96 0.409 . . . . 73.41 110.909 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 168.1 130.99 1.23 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.698 -0.763 . . . . 73.24 112.461 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 2.4 m -67.44 144.91 55.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.946 0.403 . . . . 62.24 110.845 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 19.9 m . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 74.22 110.873 -179.989 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 9.2 p . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.844 0.354 . . . . 71.21 110.87 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -59.15 -52.76 64.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 73.42 111.117 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -84.42 -34.32 23.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.431 . . . . 73.41 110.856 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -50.61 -31.79 16.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 71.4 111.096 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 10.5 p -50.02 -31.92 7.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 72.04 111.095 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -51.69 -62.69 1.47 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 73.15 110.936 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 68.6 p -77.75 -40.41 41.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 74.33 111.166 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 68.7 m -51.95 -35.19 45.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 72.25 110.895 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.5 mmp_? -51.45 -34.48 35.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 74.25 110.823 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.4 -35.38 65.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 71.54 111.072 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 158.04 70.42 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.757 -0.735 . . . . 74.51 112.527 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -145.02 174.92 10.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.889 0.376 . . . . 71.22 110.88 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 38.0 p -134.31 122.89 23.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 74.15 111.133 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 10.2 t -65.14 114.83 4.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 60.32 110.899 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 59.2 m -116.39 172.43 7.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 55.43 110.889 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 71.6 mtt180 -106.71 88.07 2.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 74.45 110.892 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -73.97 -166.17 13.15 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.72 -0.753 . . . . 70.21 112.515 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 29.3 mt -62.75 -39.35 93.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.838 0.351 . . . . 74.24 110.962 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -68.93 -42.16 77.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 73.14 110.854 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 145.95 -50.7 0.61 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.692 -0.766 . . . . 55.53 112.487 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 49.3 m-85 -129.58 135.92 49.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.923 0.392 . . . . 73.54 110.911 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 173.91 127.93 1.03 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.753 -0.737 . . . . 74.13 112.499 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.9 m -63.52 140.37 58.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.861 0.362 . . . . 72.4 110.904 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 10.0 m . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 60.31 110.849 -179.961 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 7.4 t . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.812 0.339 . . . . 74.11 110.862 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.88 -52.71 7.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 75.43 111.114 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -84.3 -34.13 23.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 73.45 110.857 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -50.36 -32.01 16.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 71.13 111.094 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 10.8 p -50.18 -32.25 8.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 74.03 111.117 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -51.96 -62.75 1.43 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 75.31 110.928 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.3 m -69.11 -43.07 75.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.116 -0.493 . . . . 74.12 111.145 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -52.44 -36.04 53.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 73.51 110.836 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.1 mmm180 -60.12 -34.77 73.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 74.3 110.863 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.41 -52.98 61.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 71.25 111.079 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 177.49 66.73 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.723 -0.751 . . . . 63.13 112.491 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -160.77 169.22 23.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.838 0.351 . . . . 73.45 110.944 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.2 p -120.44 125.37 47.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 74.11 111.126 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 44.7 t -67.17 127.75 33.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 73.35 110.921 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.8 m -126.16 170.36 11.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 75.43 110.906 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -94.95 93.03 7.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 73.52 110.891 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -65.04 164.96 35.29 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.795 -0.717 . . . . 72.13 112.45 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -52.07 -33.5 39.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.83 0.348 . . . . 75.43 110.935 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 59.0 t-80 -77.0 -38.98 51.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 74.11 110.856 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 158.68 -50.82 0.4 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.731 -0.747 . . . . 43.33 112.461 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -130.27 144.31 51.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.928 0.394 . . . . 74.52 110.944 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 176.38 125.69 0.91 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.754 -0.736 . . . . 53.44 112.505 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 18.5 m -77.38 144.7 37.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.875 0.369 . . . . 73.32 110.849 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 87.8 m . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 72.45 110.875 -179.981 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 27.0 p . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.833 0.349 . . . . 74.51 110.871 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.95 -52.75 7.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 63.25 111.112 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -58.31 -37.99 76.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 75.4 110.825 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.98 -31.88 71.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 72.51 111.126 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 97.5 t -49.6 -31.51 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 74.24 111.128 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -49.67 -62.74 1.39 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 72.31 110.932 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.2 p -82.91 -43.33 16.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.097 -0.501 . . . . 75.42 111.157 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 88.4 m -51.55 -30.57 21.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 74.05 110.905 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.6 mmt180 -50.89 -31.83 18.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 72.12 110.903 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.29 -39.92 70.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 74.14 111.089 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 172.27 66.39 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.766 -0.73 . . . . 53.14 112.517 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -157.36 156.26 31.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.85 0.357 . . . . 73.33 110.925 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.94 157.94 23.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 71.31 111.176 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 41.9 t -73.54 122.99 23.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 73.33 110.857 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.4 m -139.2 177.09 8.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 75.03 110.87 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.2 ptt180 -144.23 116.51 8.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 75.52 110.885 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -81.67 -136.25 2.09 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.771 -0.728 . . . . 63.22 112.484 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.9 pp -87.37 -35.76 18.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.845 0.355 . . . . 73.21 110.898 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -64.01 -57.62 9.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 74.0 110.844 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 178.3 -46.94 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.725 -0.75 . . . . 54.45 112.493 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -130.67 -177.12 4.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.905 0.383 . . . . 74.13 110.921 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 163.66 143.26 3.64 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.726 -0.749 . . . . 72.41 112.475 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -103.21 125.24 49.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.907 0.384 . . . . 73.44 110.849 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 77.4 m . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 64.33 110.862 -179.989 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 26.8 p . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.83 0.348 . . . . 53.33 110.84 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -58.67 -52.86 63.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 74.04 111.11 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -63.1 -39.02 93.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 74.21 110.881 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.29 -31.3 69.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 72.04 111.096 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 80.0 t -49.93 -35.7 11.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 75.2 111.137 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -51.86 -54.01 33.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 74.54 110.952 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.9 p -74.81 -44.32 49.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 75.44 111.188 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 75.9 m -51.91 -35.89 47.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 74.43 110.885 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -51.83 -35.55 44.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 74.23 110.892 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.47 -48.35 74.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 73.14 111.12 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 172.46 60.64 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.683 -0.77 . . . . 70.53 112.444 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -160.71 156.98 26.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.893 0.378 . . . . 74.54 110.931 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.8 p -119.68 151.0 39.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 73.44 111.154 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.1 t -79.24 131.57 36.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 72.21 110.859 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 31.0 p -146.02 176.31 9.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 71.13 110.851 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 49.3 mtt180 -82.42 93.14 7.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 74.32 110.923 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -60.77 -167.75 0.39 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.769 -0.729 . . . . 74.22 112.482 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.2 mt -62.85 -62.65 1.58 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.856 0.36 . . . . 74.43 110.946 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 38.3 m-70 -55.45 -35.68 65.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 75.52 110.866 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 167.08 -51.43 0.24 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.751 -0.738 . . . . 62.31 112.523 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -131.6 168.05 18.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.915 0.388 . . . . 74.05 110.889 -179.795 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 146.27 144.0 4.0 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.694 -0.765 . . . . 73.53 112.455 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.61 133.56 51.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.88 0.371 . . . . 73.2 110.848 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 2.8 m . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.467 . . . . 75.23 110.866 179.967 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 22.2 p . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.867 0.365 . . . . 71.43 110.85 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -62.97 -52.81 61.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 75.43 111.13 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -60.01 -42.1 93.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 54.44 110.882 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -51.5 -31.89 25.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 74.4 111.128 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 66.1 t -50.28 -35.47 12.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 72.41 111.156 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -51.86 -62.72 1.45 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 74.31 110.913 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.6 p -71.33 -38.32 71.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 74.43 111.147 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.3 m -55.12 -35.82 65.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 74.4 110.922 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -51.84 -35.56 44.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 74.43 110.857 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.53 -49.32 72.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 74.32 111.136 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 163.32 58.13 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.671 -0.776 . . . . 71.32 112.446 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -146.02 171.96 14.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.865 0.364 . . . . 73.22 110.888 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -121.14 155.38 34.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 74.21 111.156 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 44.1 t -78.43 124.92 28.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.266 -0.424 . . . . 64.14 110.905 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.2 p -146.55 176.29 9.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 74.21 110.883 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.7 ttm180 -85.38 106.66 16.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 75.04 110.861 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -81.68 -149.01 6.85 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.712 -0.756 . . . . 72.24 112.476 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.3 mt -71.4 -62.56 1.36 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.847 0.356 . . . . 74.3 110.915 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 11.2 t60 -60.77 -57.41 12.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 74.14 110.854 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -162.64 -51.4 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.756 -0.735 . . . . 71.34 112.495 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -131.42 179.56 5.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.945 0.402 . . . . 73.04 110.901 -179.781 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 157.39 167.57 18.63 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.791 -0.719 . . . . 71.01 112.525 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 86.9 m -91.12 129.07 37.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.891 0.376 . . . . 71.31 110.867 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 14.0 m . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 75.1 110.904 179.988 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 10.8 p . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.852 0.358 . . . . 62.23 110.862 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -72.19 -52.83 14.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 61.12 111.113 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -70.24 -36.55 74.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 75.15 110.838 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -51.44 -31.95 24.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 72.2 111.078 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 85.5 t -50.3 -35.44 12.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 64.53 111.088 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -51.9 -62.69 1.47 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 75.1 110.889 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -71.38 -38.6 71.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 70.32 111.183 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.7 m -54.65 -35.81 63.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 72.13 110.903 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 19.4 mmt180 -51.87 -35.39 44.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 73.03 110.905 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.52 -52.83 62.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 74.23 111.129 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 167.67 58.97 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.746 -0.74 . . . . 62.43 112.473 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -146.07 168.34 21.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.87 0.367 . . . . 75.02 110.908 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.1 155.33 28.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 64.43 111.151 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 46.0 t -79.97 107.7 12.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 74.24 110.915 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.1 m -122.74 168.1 12.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 73.0 110.936 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 67.0 mtm-85 -87.29 97.96 11.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 75.2 110.889 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -70.83 -138.41 0.16 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.717 -0.754 . . . . 52.31 112.491 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 54.7 mt -87.18 -62.59 1.47 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.831 0.348 . . . . 74.53 110.932 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 30.1 p-80 -59.02 -37.93 78.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 75.3 110.852 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 175.75 -51.38 0.12 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.707 -0.758 . . . . 51.52 112.495 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -131.33 179.8 5.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.95 0.405 . . . . 74.03 110.921 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 159.84 136.11 1.97 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.711 -0.756 . . . . 75.31 112.435 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 92.3 m -64.19 130.78 45.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.872 0.368 . . . . 72.25 110.891 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.4 m . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 64.02 110.906 -179.997 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 4.6 t . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.789 0.328 . . . . 74.14 110.861 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -80.1 -52.83 7.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 75.12 111.089 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -84.41 -34.14 23.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.441 . . . . 64.42 110.865 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -50.56 -31.68 16.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 74.23 111.066 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 11.0 p -49.82 -32.44 7.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 72.02 111.115 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -64.0 -54.3 36.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 73.54 110.976 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.2 m -67.97 -37.27 81.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.066 -0.515 . . . . 71.45 111.141 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 82.0 m -68.68 -34.15 75.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 72.33 110.902 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.2 mtp180 -51.32 -30.58 18.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 73.23 110.893 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.82 -52.63 62.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 71.51 111.097 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 173.85 52.1 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.719 -0.753 . . . . 75.34 112.452 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 18.0 mp0 -142.1 174.95 10.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.877 0.37 . . . . 74.21 110.918 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 69.3 p -125.19 140.33 52.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 71.43 111.194 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 49.3 t -83.04 133.2 35.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 75.14 110.902 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.6 m -138.54 176.54 8.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 63.04 110.882 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.39 104.92 16.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 74.15 110.844 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -73.69 -143.7 0.71 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.745 -0.741 . . . . 64.53 112.508 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.8 pp -86.8 -45.97 10.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.786 0.327 . . . . 74.24 110.898 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 35.0 p-80 -74.68 -35.6 62.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 72.11 110.891 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 173.18 -51.32 0.16 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.736 -0.745 . . . . 74.43 112.48 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -131.03 178.9 6.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.911 0.386 . . . . 72.12 110.93 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 150.03 128.3 1.58 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.706 -0.759 . . . . 71.2 112.494 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.61 126.76 26.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.896 0.379 . . . . 54.12 110.89 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 74.3 110.901 -179.993 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 7.4 p . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.89 0.376 . . . . 74.43 110.88 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.98 -37.29 34.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 44.52 111.096 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -84.45 -34.55 23.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.236 -0.438 . . . . 73.11 110.861 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -50.72 -31.81 17.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 72.15 111.078 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.8 m -50.03 -31.79 7.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 74.44 111.095 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -51.7 -62.71 1.46 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 74.55 110.938 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.7 t -76.22 -34.3 59.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 72.31 111.168 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.2 m -58.16 -36.1 72.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 70.34 110.871 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.76 -35.24 68.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 72.04 110.867 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.5 -38.1 68.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 71.43 111.047 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 159.44 63.69 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.684 -0.77 . . . . 65.33 112.456 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -157.37 169.31 25.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.883 0.373 . . . . 73.45 110.914 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.71 155.55 27.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.192 -0.458 . . . . 75.03 111.107 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -81.52 111.9 18.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 73.51 110.877 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.2 m -109.69 175.96 5.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 60.12 110.876 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 73.7 mtm180 -92.56 83.14 4.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 73.22 110.915 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.67 177.3 0.36 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.704 -0.76 . . . . 63.15 112.439 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.5 mp -51.92 -62.58 1.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.793 0.33 . . . . 75.12 110.905 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -52.34 -35.26 50.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 72.13 110.853 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 163.2 -51.38 0.3 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.74 -0.743 . . . . 73.32 112.448 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -131.44 166.49 21.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.909 0.385 . . . . 75.01 110.936 -179.762 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 150.93 150.38 5.29 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.784 -0.722 . . . . 75.34 112.503 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 92.8 m -51.8 136.13 28.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.906 0.384 . . . . 64.0 110.873 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 58.8 m . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 73.12 110.908 -179.976 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 18.8 p . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.878 0.371 . . . . 71.12 110.881 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -62.56 -44.64 95.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 75.24 111.089 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 -65.24 -48.18 74.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 73.04 110.903 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -51.38 -31.97 24.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 74.32 111.109 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 68.0 t -50.23 -35.31 11.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 72.51 111.093 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -51.63 -62.76 1.43 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.18 -0.463 . . . . 74.22 110.91 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.89 -40.97 68.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.098 -0.501 . . . . 73.54 111.135 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.3 m -53.21 -35.87 60.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 43.24 110.87 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -51.79 -35.18 42.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 74.31 110.866 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.44 -46.19 76.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 70.53 111.136 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 159.59 60.65 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.754 -0.736 . . . . 74.35 112.481 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -146.08 174.93 10.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.85 0.357 . . . . 73.3 110.927 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.67 155.3 27.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 75.51 111.101 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -91.87 107.85 19.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 74.33 110.924 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.5 m -112.79 174.8 5.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 73.24 110.938 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 53.3 mtm180 -95.39 88.82 5.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 74.21 110.865 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -60.0 -172.01 0.62 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.75 -0.738 . . . . 34.33 112.496 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.9 pp -64.61 -38.43 90.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.81 0.338 . . . . 64.13 110.911 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 9.1 t-80 -77.08 -46.4 23.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 73.22 110.837 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 167.16 -47.01 0.25 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.703 -0.761 . . . . 64.44 112.475 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -130.31 136.01 48.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.898 0.38 . . . . 75.42 110.925 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -170.39 136.1 3.82 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.748 -0.739 . . . . 72.02 112.475 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 53.9 m -71.02 142.44 50.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.881 0.372 . . . . 71.23 110.857 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 3.4 m . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 71.14 110.885 179.962 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 5.9 p . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.844 0.355 . . . . 71.32 110.902 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -68.88 -52.81 25.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 75.55 111.134 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -61.24 -43.34 99.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 75.14 110.889 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -51.48 -31.93 25.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 73.53 111.042 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 93.0 t -50.49 -37.01 14.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.271 -0.422 . . . . 74.22 111.101 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -51.91 -62.7 1.47 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 75.34 110.925 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 68.4 p -69.7 -35.54 75.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.098 -0.501 . . . . 65.01 111.181 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.2 m -58.47 -36.32 73.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 62.53 110.849 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -51.92 -35.93 47.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 75.04 110.875 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.49 -37.33 67.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 73.32 111.099 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 147.5 59.41 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.714 -0.755 . . . . 54.12 112.51 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -146.03 174.92 10.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.839 0.352 . . . . 73.33 110.913 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.69 155.39 32.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 75.33 111.145 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 53.5 t -75.76 119.74 20.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 72.14 110.895 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 28.0 p -140.57 170.93 14.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 75.12 110.896 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 59.4 mtm180 -90.8 98.95 12.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.457 . . . . 75.34 110.902 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.27 170.66 37.77 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.708 -0.758 . . . . 71.14 112.505 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -51.86 -33.92 38.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.857 0.36 . . . . 73.55 110.903 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 23.2 m-70 -80.56 -45.05 18.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 75.32 110.872 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 163.88 -50.64 0.3 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.711 -0.757 . . . . 54.14 112.493 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -126.91 130.31 49.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.977 0.418 . . . . 75.05 110.917 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -170.61 168.51 41.57 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.706 -0.759 . . . . 73.01 112.478 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 68.8 m -102.81 145.43 29.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.893 0.377 . . . . 74.22 110.863 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 65.6 m . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 72.32 110.916 179.966 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 26.7 p . . . . . 0 N--CA 1.458 -0.071 0 CA-C-O 120.846 0.355 . . . . 74.21 110.871 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -52.17 -52.83 49.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 71.13 111.11 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -66.89 -45.3 78.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.226 -0.443 . . . . 71.33 110.884 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -51.5 -31.94 25.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 75.03 111.122 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 95.4 t -50.0 -34.77 10.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 71.32 111.166 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -51.86 -62.71 1.46 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.137 -0.483 . . . . 72.0 110.943 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.6 m -73.24 -44.55 59.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 63.42 111.135 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 94.4 m -51.67 -35.15 41.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 70.22 110.892 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.2 mtt-85 -51.62 -34.88 39.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 75.53 110.91 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.47 -52.88 62.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 74.35 111.152 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -176.41 64.68 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.694 -0.765 . . . . 65.3 112.428 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -160.78 162.65 32.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.889 0.376 . . . . 73.05 110.909 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -125.13 155.17 40.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 64.22 111.149 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.4 t -80.47 134.94 36.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 72.23 110.896 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.7 m -137.15 176.23 8.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 54.3 110.854 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.9 mpp_? -79.63 105.07 10.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 75.45 110.865 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -79.2 172.2 55.13 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.722 -0.752 . . . . 45.41 112.479 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.8 mp -55.17 -42.0 72.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.885 0.374 . . . . 73.44 110.963 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 9.4 t-160 -78.04 -38.58 44.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.156 -0.475 . . . . 74.01 110.859 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 167.91 -48.83 0.24 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.717 -0.754 . . . . 75.23 112.464 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -129.71 153.11 48.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.944 0.402 . . . . 72.23 110.927 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 159.78 132.88 1.41 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.718 -0.753 . . . . 72.11 112.485 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 2.6 m -60.41 143.8 52.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.852 0.358 . . . . 73.1 110.865 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 12.2 m . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 75.32 110.846 180.0 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 5.6 p . . . . . 0 N--CA 1.457 -0.078 0 CA-C-O 120.906 0.384 . . . . 71.44 110.854 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.44 -52.82 7.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.484 . . . . 51.44 111.08 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -74.97 -37.43 61.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 62.53 110.905 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -51.38 -31.79 23.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 71.52 111.153 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 93.8 t -50.17 -35.5 11.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 60.12 111.099 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -51.72 -60.85 2.69 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.214 -0.448 . . . . 72.33 110.917 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 78.9 p -72.06 -35.57 69.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.117 -0.492 . . . . 74.34 111.134 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -51.86 -35.09 43.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 61.0 110.899 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.8 mmm180 -51.34 -34.89 35.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 74.31 110.91 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.46 -50.8 68.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 51.12 111.085 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 160.02 61.18 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.759 -0.734 . . . . 74.1 112.482 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -136.91 174.92 10.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.852 0.358 . . . . 72.01 110.932 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 64.8 p -129.03 130.2 46.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 72.24 111.127 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 17.7 t -55.14 117.9 3.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.453 . . . . 60.13 110.884 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 80.2 m -122.16 169.17 11.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 75.31 110.839 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 33.7 mtp85 -102.59 73.31 1.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 65.41 110.874 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -58.99 -172.75 0.46 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.736 -0.745 . . . . 74.35 112.488 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 13.6 mt -58.37 -53.82 53.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.833 0.349 . . . . 74.21 110.893 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 20.0 t60 -51.99 -47.76 64.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 75.32 110.887 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 153.19 -50.76 0.49 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.75 -0.738 . . . . 72.24 112.536 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -130.33 137.38 49.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.897 0.38 . . . . 73.2 110.911 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 174.88 131.67 1.46 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.752 -0.737 . . . . 71.25 112.479 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 14.7 m -73.86 125.18 27.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.897 0.38 . . . . 44.54 110.892 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 20.3 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 64.41 110.878 -179.997 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 24.4 p . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.813 0.339 . . . . 74.25 110.865 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -57.18 -52.76 64.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 72.51 111.091 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -68.9 -36.14 77.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 64.44 110.835 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.49 -31.71 69.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.424 . . . . 61.32 111.079 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 97.9 t -50.24 -35.09 11.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 73.22 111.116 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -51.72 -62.73 1.45 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 73.15 110.903 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 23.4 p -72.84 -43.89 62.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 74.21 111.124 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 88.8 m -51.79 -35.38 43.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 73.33 110.889 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.3 mtm180 -51.48 -33.3 30.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 74.11 110.838 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.16 -35.36 64.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 75.2 111.105 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 160.59 68.98 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.782 -0.723 . . . . 53.53 112.525 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -149.27 174.88 11.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.893 0.378 . . . . 61.33 110.889 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 47.8 p -129.95 122.79 29.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 65.5 111.182 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -78.37 107.86 11.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 75.43 110.921 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.8 m -104.82 176.31 5.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 73.23 110.902 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.5 92.75 9.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 63.45 110.827 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -72.33 176.31 41.64 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.687 -0.768 . . . . 74.24 112.485 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.0 mt -52.0 -60.87 2.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.833 0.349 . . . . 71.14 110.937 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 57.9 m80 -54.53 -37.09 64.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 74.42 110.875 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 160.35 -50.36 0.37 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.756 -0.735 . . . . 74.31 112.487 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -130.31 158.07 40.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.891 0.377 . . . . 74.3 110.93 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 169.79 130.36 1.2 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.754 -0.736 . . . . 71.11 112.475 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.3 m -72.94 125.37 27.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.889 0.376 . . . . 72.44 110.885 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 36.4 m . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 72.53 110.896 179.978 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 5.4 p . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.876 0.37 . . . . 63.11 110.865 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.02 -51.2 9.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 74.44 111.066 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -84.43 -34.13 23.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.288 -0.415 . . . . 72.31 110.847 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -50.54 -31.89 16.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 63.13 111.143 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 10.7 p -50.1 -32.2 8.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 74.34 111.126 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -51.99 -62.68 1.48 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 63.33 110.955 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.0 m -71.52 -37.83 71.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 73.14 111.122 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.3 m -55.4 -36.0 65.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 75.14 110.88 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.3 mtt85 -51.99 -35.89 48.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 73.43 110.878 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.52 -36.23 66.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 60.41 111.104 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 146.56 67.68 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.77 -0.729 . . . . 72.55 112.508 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -143.59 174.91 10.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.882 0.372 . . . . 75.31 110.916 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.7 p -115.67 128.23 55.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 72.01 111.111 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -68.93 110.13 4.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.435 . . . . 62.13 110.848 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 25.8 p -127.82 176.24 7.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 73.4 110.899 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.8 mmm180 -71.24 116.67 11.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 73.52 110.84 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -81.57 -178.07 52.17 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.741 -0.742 . . . . 52.21 112.506 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.8 mt -64.33 -47.67 78.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.765 0.317 . . . . 73.14 110.89 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 47.8 t-80 -84.26 -38.99 19.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 64.31 110.813 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -172.53 -50.78 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.757 -0.735 . . . . 64.45 112.47 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -130.28 152.01 50.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.959 0.409 . . . . 74.22 110.878 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -170.69 145.24 8.87 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.773 -0.727 . . . . 53.14 112.533 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 57.5 m -80.8 125.82 30.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.83 0.347 . . . . 72.12 110.892 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 62.43 110.853 -179.969 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 11.9 p . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.854 0.359 . . . . 74.02 110.894 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -68.03 -52.81 31.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 73.42 111.132 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -84.36 -34.24 23.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 74.5 110.846 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -50.52 -31.97 17.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 65.43 111.11 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 10.6 p -49.88 -32.13 7.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 74.11 111.166 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -51.97 -61.51 2.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 72.12 110.947 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 43.1 p -72.38 -44.21 62.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.13 -0.486 . . . . 63.15 111.188 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 78.4 m -51.92 -35.97 47.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 74.31 110.839 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.4 mmt180 -51.88 -35.85 46.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 74.0 110.885 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.53 -52.97 61.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 64.33 111.082 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -178.59 63.29 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.726 -0.75 . . . . 72.31 112.486 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -160.73 153.94 21.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.868 0.366 . . . . 75.11 110.894 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.67 155.3 27.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 63.41 111.115 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.7 t -79.51 135.03 36.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 61.31 110.855 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 58.6 m -130.69 163.45 27.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 75.54 110.867 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 52.6 ttp85 -82.21 82.59 7.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 73.41 110.879 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -61.07 -178.51 2.4 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.717 -0.754 . . . . 74.13 112.473 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 22.0 mt -58.82 -53.82 54.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.89 0.376 . . . . 72.22 110.972 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 10.7 t-160 -60.0 -54.59 44.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 71.21 110.842 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 176.85 -49.96 0.11 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.74 -0.743 . . . . 72.21 112.454 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 33.7 m-85 -129.26 146.91 51.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.96 0.409 . . . . 73.41 110.909 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 168.1 130.99 1.23 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.698 -0.763 . . . . 73.24 112.461 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 2.4 m -67.44 144.91 55.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.946 0.403 . . . . 62.24 110.845 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 19.9 m . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 74.22 110.873 -179.989 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 9.2 p . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.844 0.354 . . . . 71.21 110.87 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -59.15 -52.76 64.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 73.42 111.117 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -84.42 -34.32 23.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.431 . . . . 73.41 110.856 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -50.61 -31.79 16.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 71.4 111.096 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 10.5 p -50.02 -31.92 7.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 72.04 111.095 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -51.69 -62.69 1.47 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 73.15 110.936 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 68.6 p -77.75 -40.41 41.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 74.33 111.166 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 68.7 m -51.95 -35.19 45.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 72.25 110.895 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.5 mmp_? -51.45 -34.48 35.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 74.25 110.823 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.4 -35.38 65.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 71.54 111.072 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 158.04 70.42 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.757 -0.735 . . . . 74.51 112.527 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -145.02 174.92 10.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.889 0.376 . . . . 71.22 110.88 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 38.0 p -134.31 122.89 23.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 74.15 111.133 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 10.2 t -65.14 114.83 4.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 60.32 110.899 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 59.2 m -116.39 172.43 7.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 55.43 110.889 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 71.6 mtt180 -106.71 88.07 2.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 74.45 110.892 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -73.97 -166.17 13.15 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.72 -0.753 . . . . 70.21 112.515 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 29.3 mt -62.75 -39.35 93.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.838 0.351 . . . . 74.24 110.962 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -68.93 -42.16 77.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 73.14 110.854 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 145.95 -50.7 0.61 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.692 -0.766 . . . . 55.53 112.487 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 49.3 m-85 -129.58 135.92 49.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.923 0.392 . . . . 73.54 110.911 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 173.91 127.93 1.03 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.753 -0.737 . . . . 74.13 112.499 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.9 m -63.52 140.37 58.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.861 0.362 . . . . 72.4 110.904 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 10.0 m . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 60.31 110.849 -179.961 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 7.4 t . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.812 0.339 . . . . 74.11 110.862 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.88 -52.71 7.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 75.43 111.114 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -84.3 -34.13 23.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 73.45 110.857 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -50.36 -32.01 16.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 71.13 111.094 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 10.8 p -50.18 -32.25 8.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 74.03 111.117 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -51.96 -62.75 1.43 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 75.31 110.928 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.3 m -69.11 -43.07 75.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.116 -0.493 . . . . 74.12 111.145 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -52.44 -36.04 53.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 73.51 110.836 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.1 mmm180 -60.12 -34.77 73.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 74.3 110.863 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.41 -52.98 61.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 71.25 111.079 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 177.49 66.73 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.723 -0.751 . . . . 63.13 112.491 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -160.77 169.22 23.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.838 0.351 . . . . 73.45 110.944 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.2 p -120.44 125.37 47.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 74.11 111.126 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 44.7 t -67.17 127.75 33.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 73.35 110.921 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.8 m -126.16 170.36 11.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 75.43 110.906 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -94.95 93.03 7.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 73.52 110.891 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -65.04 164.96 35.29 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.795 -0.717 . . . . 72.13 112.45 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -52.07 -33.5 39.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.83 0.348 . . . . 75.43 110.935 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 59.0 t-80 -77.0 -38.98 51.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 74.11 110.856 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 158.68 -50.82 0.4 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.731 -0.747 . . . . 43.33 112.461 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -130.27 144.31 51.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.928 0.394 . . . . 74.52 110.944 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 176.38 125.69 0.91 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.754 -0.736 . . . . 53.44 112.505 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 18.5 m -77.38 144.7 37.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.875 0.369 . . . . 73.32 110.849 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 87.8 m . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 72.45 110.875 -179.981 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 27.0 p . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.833 0.349 . . . . 74.51 110.871 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.95 -52.75 7.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 63.25 111.112 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -58.31 -37.99 76.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 75.4 110.825 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.98 -31.88 71.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 72.51 111.126 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 97.5 t -49.6 -31.51 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 74.24 111.128 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -49.67 -62.74 1.39 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 72.31 110.932 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.2 p -82.91 -43.33 16.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.097 -0.501 . . . . 75.42 111.157 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 88.4 m -51.55 -30.57 21.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 74.05 110.905 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.6 mmt180 -50.89 -31.83 18.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 72.12 110.903 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.29 -39.92 70.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 74.14 111.089 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 172.27 66.39 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.766 -0.73 . . . . 53.14 112.517 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -157.36 156.26 31.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.85 0.357 . . . . 73.33 110.925 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.94 157.94 23.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 71.31 111.176 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 41.9 t -73.54 122.99 23.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 73.33 110.857 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.4 m -139.2 177.09 8.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 75.03 110.87 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.2 ptt180 -144.23 116.51 8.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 75.52 110.885 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -81.67 -136.25 2.09 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.771 -0.728 . . . . 63.22 112.484 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.9 pp -87.37 -35.76 18.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.845 0.355 . . . . 73.21 110.898 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -64.01 -57.62 9.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 74.0 110.844 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 178.3 -46.94 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.725 -0.75 . . . . 54.45 112.493 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -130.67 -177.12 4.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.905 0.383 . . . . 74.13 110.921 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 163.66 143.26 3.64 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.726 -0.749 . . . . 72.41 112.475 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -103.21 125.24 49.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.907 0.384 . . . . 73.44 110.849 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 77.4 m . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 64.33 110.862 -179.989 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 26.8 p . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.83 0.348 . . . . 53.33 110.84 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -58.67 -52.86 63.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 74.04 111.11 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -63.1 -39.02 93.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 74.21 110.881 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.29 -31.3 69.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 72.04 111.096 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 80.0 t -49.93 -35.7 11.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 75.2 111.137 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -51.86 -54.01 33.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 74.54 110.952 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.9 p -74.81 -44.32 49.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 75.44 111.188 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 75.9 m -51.91 -35.89 47.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 74.43 110.885 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -51.83 -35.55 44.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 74.23 110.892 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.47 -48.35 74.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 73.14 111.12 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 172.46 60.64 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.683 -0.77 . . . . 70.53 112.444 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -160.71 156.98 26.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.893 0.378 . . . . 74.54 110.931 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.8 p -119.68 151.0 39.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 73.44 111.154 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.1 t -79.24 131.57 36.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 72.21 110.859 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 31.0 p -146.02 176.31 9.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 71.13 110.851 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 49.3 mtt180 -82.42 93.14 7.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 74.32 110.923 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -60.77 -167.75 0.39 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.769 -0.729 . . . . 74.22 112.482 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.2 mt -62.85 -62.65 1.58 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.856 0.36 . . . . 74.43 110.946 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 38.3 m-70 -55.45 -35.68 65.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 75.52 110.866 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 167.08 -51.43 0.24 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.751 -0.738 . . . . 62.31 112.523 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -131.6 168.05 18.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.915 0.388 . . . . 74.05 110.889 -179.795 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 146.27 144.0 4.0 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.694 -0.765 . . . . 73.53 112.455 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.61 133.56 51.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.88 0.371 . . . . 73.2 110.848 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 2.8 m . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.467 . . . . 75.23 110.866 179.967 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 22.2 p . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.867 0.365 . . . . 71.43 110.85 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -62.97 -52.81 61.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 75.43 111.13 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -60.01 -42.1 93.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 54.44 110.882 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -51.5 -31.89 25.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 74.4 111.128 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 66.1 t -50.28 -35.47 12.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 72.41 111.156 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -51.86 -62.72 1.45 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 74.31 110.913 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.6 p -71.33 -38.32 71.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 74.43 111.147 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.3 m -55.12 -35.82 65.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 74.4 110.922 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -51.84 -35.56 44.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 74.43 110.857 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.53 -49.32 72.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 74.32 111.136 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 163.32 58.13 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.671 -0.776 . . . . 71.32 112.446 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -146.02 171.96 14.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.865 0.364 . . . . 73.22 110.888 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -121.14 155.38 34.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 74.21 111.156 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 44.1 t -78.43 124.92 28.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.266 -0.424 . . . . 64.14 110.905 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.2 p -146.55 176.29 9.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 74.21 110.883 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.7 ttm180 -85.38 106.66 16.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 75.04 110.861 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -81.68 -149.01 6.85 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.712 -0.756 . . . . 72.24 112.476 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.3 mt -71.4 -62.56 1.36 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.847 0.356 . . . . 74.3 110.915 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 11.2 t60 -60.77 -57.41 12.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 74.14 110.854 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -162.64 -51.4 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.756 -0.735 . . . . 71.34 112.495 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -131.42 179.56 5.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.945 0.402 . . . . 73.04 110.901 -179.781 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 157.39 167.57 18.63 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.791 -0.719 . . . . 71.01 112.525 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 86.9 m -91.12 129.07 37.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.891 0.376 . . . . 71.31 110.867 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 14.0 m . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 75.1 110.904 179.988 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 10.8 p . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.852 0.358 . . . . 62.23 110.862 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -72.19 -52.83 14.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 61.12 111.113 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -70.24 -36.55 74.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 75.15 110.838 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -51.44 -31.95 24.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 72.2 111.078 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 85.5 t -50.3 -35.44 12.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 64.53 111.088 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -51.9 -62.69 1.47 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 75.1 110.889 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -71.38 -38.6 71.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 70.32 111.183 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.7 m -54.65 -35.81 63.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 72.13 110.903 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 19.4 mmt180 -51.87 -35.39 44.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 73.03 110.905 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.52 -52.83 62.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 74.23 111.129 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 167.67 58.97 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.746 -0.74 . . . . 62.43 112.473 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -146.07 168.34 21.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.87 0.367 . . . . 75.02 110.908 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.1 155.33 28.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 64.43 111.151 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 46.0 t -79.97 107.7 12.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 74.24 110.915 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.1 m -122.74 168.1 12.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 73.0 110.936 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 67.0 mtm-85 -87.29 97.96 11.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 75.2 110.889 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -70.83 -138.41 0.16 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.717 -0.754 . . . . 52.31 112.491 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 54.7 mt -87.18 -62.59 1.47 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.831 0.348 . . . . 74.53 110.932 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 30.1 p-80 -59.02 -37.93 78.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 75.3 110.852 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 175.75 -51.38 0.12 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.707 -0.758 . . . . 51.52 112.495 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -131.33 179.8 5.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.95 0.405 . . . . 74.03 110.921 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 159.84 136.11 1.97 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.711 -0.756 . . . . 75.31 112.435 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 92.3 m -64.19 130.78 45.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.872 0.368 . . . . 72.25 110.891 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.4 m . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 64.02 110.906 -179.997 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 4.6 t . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.789 0.328 . . . . 74.14 110.861 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -80.1 -52.83 7.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 75.12 111.089 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -84.41 -34.14 23.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.441 . . . . 64.42 110.865 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -50.56 -31.68 16.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 74.23 111.066 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 11.0 p -49.82 -32.44 7.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 72.02 111.115 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -64.0 -54.3 36.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 73.54 110.976 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.2 m -67.97 -37.27 81.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.066 -0.515 . . . . 71.45 111.141 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 82.0 m -68.68 -34.15 75.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 72.33 110.902 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.2 mtp180 -51.32 -30.58 18.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 73.23 110.893 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.82 -52.63 62.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 71.51 111.097 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 173.85 52.1 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.719 -0.753 . . . . 75.34 112.452 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 18.0 mp0 -142.1 174.95 10.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.877 0.37 . . . . 74.21 110.918 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 69.3 p -125.19 140.33 52.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 71.43 111.194 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 49.3 t -83.04 133.2 35.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 75.14 110.902 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.6 m -138.54 176.54 8.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 63.04 110.882 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.39 104.92 16.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 74.15 110.844 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -73.69 -143.7 0.71 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.745 -0.741 . . . . 64.53 112.508 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.8 pp -86.8 -45.97 10.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.786 0.327 . . . . 74.24 110.898 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 35.0 p-80 -74.68 -35.6 62.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 72.11 110.891 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 173.18 -51.32 0.16 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.736 -0.745 . . . . 74.43 112.48 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -131.03 178.9 6.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.911 0.386 . . . . 72.12 110.93 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 150.03 128.3 1.58 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.706 -0.759 . . . . 71.2 112.494 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.61 126.76 26.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.896 0.379 . . . . 54.12 110.89 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 74.3 110.901 -179.993 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 7.4 p . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.89 0.376 . . . . 74.43 110.88 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.98 -37.29 34.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 44.52 111.096 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -84.45 -34.55 23.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.236 -0.438 . . . . 73.11 110.861 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -50.72 -31.81 17.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 72.15 111.078 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.8 m -50.03 -31.79 7.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 74.44 111.095 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -51.7 -62.71 1.46 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 74.55 110.938 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.7 t -76.22 -34.3 59.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 72.31 111.168 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.2 m -58.16 -36.1 72.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 70.34 110.871 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.76 -35.24 68.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 72.04 110.867 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.5 -38.1 68.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 71.43 111.047 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 159.44 63.69 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.684 -0.77 . . . . 65.33 112.456 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -157.37 169.31 25.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.883 0.373 . . . . 73.45 110.914 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.71 155.55 27.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.192 -0.458 . . . . 75.03 111.107 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -81.52 111.9 18.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 73.51 110.877 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.2 m -109.69 175.96 5.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 60.12 110.876 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 73.7 mtm180 -92.56 83.14 4.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 73.22 110.915 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.67 177.3 0.36 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.704 -0.76 . . . . 63.15 112.439 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.5 mp -51.92 -62.58 1.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.793 0.33 . . . . 75.12 110.905 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -52.34 -35.26 50.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 72.13 110.853 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 163.2 -51.38 0.3 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.74 -0.743 . . . . 73.32 112.448 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -131.44 166.49 21.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.909 0.385 . . . . 75.01 110.936 -179.762 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 150.93 150.38 5.29 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.784 -0.722 . . . . 75.34 112.503 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 92.8 m -51.8 136.13 28.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.906 0.384 . . . . 64.0 110.873 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 58.8 m . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 73.12 110.908 -179.976 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' CYS . . . . . 0.617 ' O ' HG23 ' A' ' 5' ' ' VAL . 18.8 p . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.878 0.371 . . . . 51.44 110.881 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -62.56 -44.64 95.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 72.4 111.089 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 -65.24 -48.18 74.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 73.04 110.903 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.615 ' HB1' ' SG ' ' A' ' 23' ' ' CYS . . . -51.38 -31.97 24.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 34.45 111.109 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 1' ' ' CYS . 68.0 t -50.23 -35.31 11.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 72.51 111.093 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -51.63 -62.76 1.43 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.18 -0.463 . . . . 74.21 110.91 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.89 -40.97 68.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.098 -0.501 . . . . 73.54 111.135 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.3 m -53.21 -35.87 60.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 43.24 110.87 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -51.79 -35.18 42.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 74.03 110.866 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.44 -46.19 76.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 70.53 111.136 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 159.59 60.65 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.754 -0.736 . . . . 71.3 112.481 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -146.08 174.93 10.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.85 0.357 . . . . 64.33 110.927 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.67 155.3 27.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 52.54 111.101 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -91.87 107.85 19.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 74.33 110.924 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.5 m -112.79 174.8 5.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 73.24 110.938 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 53.3 mtm180 -95.39 88.82 5.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 71.1 110.865 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -60.0 -172.01 0.62 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.75 -0.738 . . . . 23.11 112.496 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.432 HD12 ' N ' ' A' ' 19' ' ' HIS . 3.9 pp -64.61 -38.43 90.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.81 0.338 . . . . 63.42 110.911 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.432 ' N ' HD12 ' A' ' 18' ' ' LEU . 9.1 t-80 -77.08 -46.4 23.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 73.22 110.837 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 167.16 -47.01 0.25 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.703 -0.761 . . . . 61.23 112.475 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -130.31 136.01 48.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.898 0.38 . . . . 64.24 110.925 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -170.39 136.1 3.82 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.748 -0.739 . . . . 51.42 112.475 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.615 ' SG ' ' HB1' ' A' ' 4' ' ' ALA . 53.9 m -71.02 142.44 50.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.881 0.372 . . . . 71.2 110.857 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 3.4 m . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 71.14 110.885 179.962 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' CYS . . . . . 0.636 ' HB2' ' HB3' ' A' ' 4' ' ' ALA . 5.9 p . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.844 0.355 . . . . 63.4 110.902 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -68.88 -52.81 25.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 75.55 111.134 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -61.24 -43.34 99.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 75.05 110.889 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.636 ' HB3' ' HB2' ' A' ' 1' ' ' CYS . . . -51.48 -31.93 25.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 73.53 111.042 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 1' ' ' CYS . 93.0 t -50.49 -37.01 14.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.271 -0.422 . . . . 74.22 111.101 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -51.91 -62.7 1.47 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 74.31 110.925 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 68.4 p -69.7 -35.54 75.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.098 -0.501 . . . . 53.34 111.181 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.2 m -58.47 -36.32 73.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 62.53 110.849 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -51.92 -35.93 47.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 75.04 110.875 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.49 -37.33 67.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 73.32 111.099 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 147.5 59.41 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.714 -0.755 . . . . 54.12 112.51 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -146.03 174.92 10.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.839 0.352 . . . . 73.33 110.913 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.69 155.39 32.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 75.33 111.145 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 53.5 t -75.76 119.74 20.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 72.14 110.895 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 28.0 p -140.57 170.93 14.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 75.12 110.896 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 59.4 mtm180 -90.8 98.95 12.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.457 . . . . 75.34 110.902 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.27 170.66 37.77 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.708 -0.758 . . . . 71.14 112.505 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -51.86 -33.92 38.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.857 0.36 . . . . 73.55 110.903 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 23.2 m-70 -80.56 -45.05 18.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 75.32 110.872 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 163.88 -50.64 0.3 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.711 -0.757 . . . . 54.14 112.493 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -126.91 130.31 49.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.977 0.418 . . . . 53.4 110.917 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -170.61 168.51 41.57 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.706 -0.759 . . . . 73.01 112.478 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 68.8 m -102.81 145.43 29.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.893 0.377 . . . . 73.14 110.863 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 65.6 m . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 72.32 110.916 179.966 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' CYS . . . . . 0.725 ' HB2' ' HB3' ' A' ' 4' ' ' ALA . 26.7 p . . . . . 0 N--CA 1.458 -0.071 0 CA-C-O 120.846 0.355 . . . . 74.21 110.871 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -52.17 -52.83 49.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 63.14 111.11 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -66.89 -45.3 78.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.226 -0.443 . . . . 71.33 110.884 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.725 ' HB3' ' HB2' ' A' ' 1' ' ' CYS . . . -51.5 -31.94 25.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 53.55 111.122 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.707 HG23 ' O ' ' A' ' 1' ' ' CYS . 95.4 t -50.0 -34.77 10.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 71.32 111.166 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -51.86 -62.71 1.46 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.137 -0.483 . . . . 71.33 110.943 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.6 m -73.24 -44.55 59.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 63.42 111.135 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 94.4 m -51.67 -35.15 41.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 70.22 110.892 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.2 mtt-85 -51.62 -34.88 39.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 75.53 110.91 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.47 -52.88 62.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 74.04 111.152 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -176.41 64.68 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.694 -0.765 . . . . 65.01 112.428 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -160.78 162.65 32.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.889 0.376 . . . . 73.05 110.909 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -125.13 155.17 40.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 64.22 111.149 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.4 t -80.47 134.94 36.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 72.23 110.896 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.7 m -137.15 176.23 8.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 54.3 110.854 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.9 mpp_? -79.63 105.07 10.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 75.45 110.865 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -79.2 172.2 55.13 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.722 -0.752 . . . . 45.41 112.479 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.8 mp -55.17 -42.0 72.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.885 0.374 . . . . 73.44 110.963 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 9.4 t-160 -78.04 -38.58 44.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.156 -0.475 . . . . 74.01 110.859 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 167.91 -48.83 0.24 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.717 -0.754 . . . . 72.11 112.464 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -129.71 153.11 48.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.944 0.402 . . . . 72.23 110.927 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 159.78 132.88 1.41 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.718 -0.753 . . . . 71.44 112.485 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 2.6 m -60.41 143.8 52.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.852 0.358 . . . . 73.1 110.865 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 12.2 m . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 75.32 110.846 180.0 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' CYS . . . . . 0.789 ' HB2' ' HB3' ' A' ' 4' ' ' ALA . 5.6 p . . . . . 0 N--CA 1.457 -0.078 0 CA-C-O 120.906 0.384 . . . . 71.44 110.854 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.44 -52.82 7.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.484 . . . . 42.2 111.08 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -74.97 -37.43 61.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 62.53 110.905 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.789 ' HB3' ' HB2' ' A' ' 1' ' ' CYS . . . -51.38 -31.79 23.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 71.52 111.153 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 1' ' ' CYS . 93.8 t -50.17 -35.5 11.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 43.13 111.099 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -51.72 -60.85 2.69 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.214 -0.448 . . . . 72.33 110.917 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 78.9 p -72.06 -35.57 69.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.117 -0.492 . . . . 70.3 111.134 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -51.86 -35.09 43.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 61.0 110.899 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.8 mmm180 -51.34 -34.89 35.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 74.31 110.91 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.46 -50.8 68.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 51.12 111.085 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 160.02 61.18 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.759 -0.734 . . . . 71.41 112.482 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -136.91 174.92 10.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.852 0.358 . . . . 72.01 110.932 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 64.8 p -129.03 130.2 46.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 53.3 111.127 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 17.7 t -55.14 117.9 3.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.453 . . . . 60.13 110.884 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 80.2 m -122.16 169.17 11.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 75.31 110.839 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 33.7 mtp85 -102.59 73.31 1.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 61.13 110.874 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -58.99 -172.75 0.46 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.736 -0.745 . . . . 51.44 112.488 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 13.6 mt -58.37 -53.82 53.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.833 0.349 . . . . 72.42 110.893 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 20.0 t60 -51.99 -47.76 64.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 73.03 110.887 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 153.19 -50.76 0.49 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.75 -0.738 . . . . 33.21 112.536 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -130.33 137.38 49.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.897 0.38 . . . . 73.2 110.911 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 174.88 131.67 1.46 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.752 -0.737 . . . . 53.45 112.479 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 14.7 m -73.86 125.18 27.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.897 0.38 . . . . 33.41 110.892 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 20.3 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 64.41 110.878 -179.997 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' CYS . . . . . 0.713 ' HB2' ' HB3' ' A' ' 4' ' ' ALA . 24.4 p . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.813 0.339 . . . . 74.25 110.865 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -57.18 -52.76 64.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 51.22 111.091 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -68.9 -36.14 77.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 64.44 110.835 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.713 ' HB3' ' HB2' ' A' ' 1' ' ' CYS . . . -59.49 -31.71 69.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.424 . . . . 60.13 111.079 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.707 HG23 ' O ' ' A' ' 1' ' ' CYS . 97.9 t -50.24 -35.09 11.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 73.22 111.116 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -51.72 -62.73 1.45 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 73.15 110.903 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 23.4 p -72.84 -43.89 62.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 74.21 111.124 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 88.8 m -51.79 -35.38 43.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 73.33 110.889 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.3 mtm180 -51.48 -33.3 30.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 72.4 110.838 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.16 -35.36 64.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 60.02 111.105 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 160.59 68.98 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.782 -0.723 . . . . 53.53 112.525 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -149.27 174.88 11.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.893 0.378 . . . . 60.51 110.889 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 47.8 p -129.95 122.79 29.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 65.5 111.182 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -78.37 107.86 11.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 61.3 110.921 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.8 m -104.82 176.31 5.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 73.23 110.902 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.5 92.75 9.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 61.45 110.827 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -72.33 176.31 41.64 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.687 -0.768 . . . . 74.24 112.485 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.0 mt -52.0 -60.87 2.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.833 0.349 . . . . 64.34 110.937 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 57.9 m80 -54.53 -37.09 64.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 74.42 110.875 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 160.35 -50.36 0.37 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.756 -0.735 . . . . 53.51 112.487 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -130.31 158.07 40.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.891 0.377 . . . . 74.11 110.93 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 169.79 130.36 1.2 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.754 -0.736 . . . . 71.11 112.475 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.3 m -72.94 125.37 27.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.889 0.376 . . . . 43.2 110.885 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 36.4 m . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 72.53 110.896 179.978 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' CYS . . . . . 0.804 ' HB2' ' HB3' ' A' ' 4' ' ' ALA . 5.4 p . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.876 0.37 . . . . 63.11 110.865 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ALA . . . . . 0.515 ' O ' HG12 ' A' ' 5' ' ' VAL . . . -79.02 -51.2 9.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 62.53 111.066 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -84.43 -34.13 23.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.288 -0.415 . . . . 72.31 110.847 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.804 ' HB3' ' HB2' ' A' ' 1' ' ' CYS . . . -50.54 -31.89 16.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 62.55 111.143 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.515 HG12 ' O ' ' A' ' 2' ' ' ALA . 10.7 p -50.1 -32.2 8.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 53.2 111.126 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -51.99 -62.68 1.48 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 63.33 110.955 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.0 m -71.52 -37.83 71.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 73.14 111.122 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.3 m -55.4 -36.0 65.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 75.14 110.88 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.3 mtt85 -51.99 -35.89 48.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 72.51 110.878 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.52 -36.23 66.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 22.22 111.104 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 146.56 67.68 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.77 -0.729 . . . . 65.01 112.508 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -143.59 174.91 10.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.882 0.372 . . . . 75.1 110.916 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.7 p -115.67 128.23 55.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 60.24 111.111 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -68.93 110.13 4.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.435 . . . . 62.13 110.848 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 25.8 p -127.82 176.24 7.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 73.4 110.899 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.8 mmm180 -71.24 116.67 11.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 63.25 110.84 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -81.57 -178.07 52.17 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.741 -0.742 . . . . 52.21 112.506 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.8 mt -64.33 -47.67 78.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.765 0.317 . . . . 71.43 110.89 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 47.8 t-80 -84.26 -38.99 19.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 64.31 110.813 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -172.53 -50.78 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.757 -0.735 . . . . 64.45 112.47 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -130.28 152.01 50.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.959 0.409 . . . . 72.03 110.878 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -170.69 145.24 8.87 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.773 -0.727 . . . . 53.14 112.533 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 57.5 m -80.8 125.82 30.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.83 0.347 . . . . 72.12 110.892 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 62.43 110.853 -179.969 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' CYS . . . . . 0.682 ' HB2' ' HB3' ' A' ' 4' ' ' ALA . 11.9 p . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.854 0.359 . . . . 74.02 110.894 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ALA . . . . . 0.517 ' O ' HG12 ' A' ' 5' ' ' VAL . . . -68.03 -52.81 31.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 73.42 111.132 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -84.36 -34.24 23.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 74.5 110.846 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.682 ' HB3' ' HB2' ' A' ' 1' ' ' CYS . . . -50.52 -31.97 17.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 63.1 111.11 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.517 HG12 ' O ' ' A' ' 2' ' ' ALA . 10.6 p -49.88 -32.13 7.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 74.11 111.166 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -51.97 -61.51 2.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 64.05 110.947 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 43.1 p -72.38 -44.21 62.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.13 -0.486 . . . . 63.15 111.188 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 78.4 m -51.92 -35.97 47.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 70.53 110.839 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.4 mmt180 -51.88 -35.85 46.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 60.13 110.885 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.53 -52.97 61.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 62.35 111.082 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -178.59 63.29 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.726 -0.75 . . . . 72.31 112.486 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -160.73 153.94 21.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.868 0.366 . . . . 75.11 110.894 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.67 155.3 27.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 61.41 111.115 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.7 t -79.51 135.03 36.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 61.31 110.855 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 58.6 m -130.69 163.45 27.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 52.12 110.867 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 52.6 ttp85 -82.21 82.59 7.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 72.43 110.879 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -61.07 -178.51 2.4 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.717 -0.754 . . . . 65.12 112.473 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 22.0 mt -58.82 -53.82 54.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.89 0.376 . . . . 72.22 110.972 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 10.7 t-160 -60.0 -54.59 44.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 71.21 110.842 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 176.85 -49.96 0.11 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.74 -0.743 . . . . 72.21 112.454 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 33.7 m-85 -129.26 146.91 51.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.96 0.409 . . . . 65.25 110.909 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 168.1 130.99 1.23 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.698 -0.763 . . . . 53.34 112.461 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 2.4 m -67.44 144.91 55.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.946 0.403 . . . . 53.34 110.845 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 19.9 m . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 74.2 110.873 -179.989 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' CYS . . . . . 0.57 ' HB2' ' HB3' ' A' ' 4' ' ' ALA . 9.2 p . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.844 0.354 . . . . 71.21 110.87 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ALA . . . . . 0.518 ' O ' HG12 ' A' ' 5' ' ' VAL . . . -59.15 -52.76 64.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 55.43 111.117 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -84.42 -34.32 23.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.431 . . . . 73.41 110.856 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.57 ' HB3' ' HB2' ' A' ' 1' ' ' CYS . . . -50.61 -31.79 16.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 71.4 111.096 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.518 HG12 ' O ' ' A' ' 2' ' ' ALA . 10.5 p -50.02 -31.92 7.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 51.11 111.095 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -51.69 -62.69 1.47 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 73.15 110.936 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 68.6 p -77.75 -40.41 41.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 72.43 111.166 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 68.7 m -51.95 -35.19 45.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 72.25 110.895 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.5 mmp_? -51.45 -34.48 35.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 71.15 110.823 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.4 -35.38 65.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 65.52 111.072 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 158.04 70.42 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.757 -0.735 . . . . 72.14 112.527 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -145.02 174.92 10.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.889 0.376 . . . . 63.43 110.88 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 38.0 p -134.31 122.89 23.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 74.15 111.133 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 10.2 t -65.14 114.83 4.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 42.13 110.899 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 59.2 m -116.39 172.43 7.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 55.43 110.889 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 71.6 mtt180 -106.71 88.07 2.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 70.31 110.892 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -73.97 -166.17 13.15 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.72 -0.753 . . . . 61.04 112.515 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 29.3 mt -62.75 -39.35 93.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.838 0.351 . . . . 74.24 110.962 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -68.93 -42.16 77.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 73.14 110.854 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 145.95 -50.7 0.61 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.692 -0.766 . . . . 40.33 112.487 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 49.3 m-85 -129.58 135.92 49.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.923 0.392 . . . . 73.54 110.911 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 173.91 127.93 1.03 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.753 -0.737 . . . . 74.13 112.499 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.9 m -63.52 140.37 58.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.861 0.362 . . . . 72.4 110.904 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 10.0 m . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 34.34 110.849 -179.961 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 7.4 t . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.812 0.339 . . . . 64.54 110.862 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ALA . . . . . 0.514 ' O ' HG12 ' A' ' 5' ' ' VAL . . . -79.88 -52.71 7.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 54.42 111.114 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -84.3 -34.13 23.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 73.45 110.857 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -50.36 -32.01 16.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 63.13 111.094 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.514 HG12 ' O ' ' A' ' 2' ' ' ALA . 10.8 p -50.18 -32.25 8.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 74.03 111.117 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -51.96 -62.75 1.43 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 72.23 110.928 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.3 m -69.11 -43.07 75.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.116 -0.493 . . . . 60.24 111.145 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -52.44 -36.04 53.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 73.51 110.836 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.1 mmm180 -60.12 -34.77 73.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 63.1 110.863 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.41 -52.98 61.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 71.25 111.079 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 177.49 66.73 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.723 -0.751 . . . . 63.13 112.491 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -160.77 169.22 23.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.838 0.351 . . . . 73.45 110.944 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.2 p -120.44 125.37 47.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 74.11 111.126 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 44.7 t -67.17 127.75 33.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 73.35 110.921 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.8 m -126.16 170.36 11.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 73.34 110.906 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -94.95 93.03 7.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 73.45 110.891 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -65.04 164.96 35.29 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.795 -0.717 . . . . 70.53 112.45 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -52.07 -33.5 39.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.83 0.348 . . . . 75.43 110.935 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 59.0 t-80 -77.0 -38.98 51.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 73.54 110.856 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 158.68 -50.82 0.4 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.731 -0.747 . . . . 33.5 112.461 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -130.27 144.31 51.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.928 0.394 . . . . 73.44 110.944 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 176.38 125.69 0.91 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.754 -0.736 . . . . 53.44 112.505 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 18.5 m -77.38 144.7 37.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.875 0.369 . . . . 72.44 110.849 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 87.8 m . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 70.01 110.875 -179.981 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' CYS . . . . . 0.491 ' O ' HG23 ' A' ' 5' ' ' VAL . 27.0 p . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.833 0.349 . . . . 54.5 110.871 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.95 -52.75 7.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 60.35 111.112 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -58.31 -37.99 76.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 70.45 110.825 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.417 ' HB1' ' SG ' ' A' ' 8' ' ' CYS . . . -60.98 -31.88 71.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 24.32 111.126 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 1' ' ' CYS . 97.5 t -49.6 -31.51 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 74.24 111.128 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -49.67 -62.74 1.39 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 72.31 110.932 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.2 p -82.91 -43.33 16.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.097 -0.501 . . . . 71.43 111.157 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.417 ' SG ' ' HB1' ' A' ' 4' ' ' ALA . 88.4 m -51.55 -30.57 21.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 74.05 110.905 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.6 mmt180 -50.89 -31.83 18.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 72.12 110.903 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.29 -39.92 70.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 74.14 111.089 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 172.27 66.39 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.766 -0.73 . . . . 53.14 112.517 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -157.36 156.26 31.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.85 0.357 . . . . 73.33 110.925 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.94 157.94 23.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 54.13 111.176 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 41.9 t -73.54 122.99 23.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 73.33 110.857 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.4 m -139.2 177.09 8.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 60.43 110.87 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.2 ptt180 -144.23 116.51 8.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 64.52 110.885 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -81.67 -136.25 2.09 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.771 -0.728 . . . . 43.2 112.484 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.433 HD12 ' N ' ' A' ' 19' ' ' HIS . 3.9 pp -87.37 -35.76 18.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.845 0.355 . . . . 72.15 110.898 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.433 ' N ' HD12 ' A' ' 18' ' ' LEU . 9.4 m-70 -64.01 -57.62 9.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 74.0 110.844 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 178.3 -46.94 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.725 -0.75 . . . . 54.45 112.493 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -130.67 -177.12 4.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.905 0.383 . . . . 74.13 110.921 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 163.66 143.26 3.64 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.726 -0.749 . . . . 72.41 112.475 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -103.21 125.24 49.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.907 0.384 . . . . 73.44 110.849 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 77.4 m . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 64.33 110.862 -179.989 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' CYS . . . . . 0.669 ' HB2' ' HB3' ' A' ' 4' ' ' ALA . 26.8 p . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.83 0.348 . . . . 53.33 110.84 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -58.67 -52.86 63.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 61.31 111.11 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -63.1 -39.02 93.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 74.21 110.881 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.669 ' HB3' ' HB2' ' A' ' 1' ' ' CYS . . . -59.29 -31.3 69.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 53.33 111.096 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 1' ' ' CYS . 80.0 t -49.93 -35.7 11.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 62.3 111.137 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -51.86 -54.01 33.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 71.53 110.952 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.9 p -74.81 -44.32 49.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 75.44 111.188 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 75.9 m -51.91 -35.89 47.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 74.43 110.885 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -51.83 -35.55 44.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 70.21 110.892 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.47 -48.35 74.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 73.14 111.12 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 172.46 60.64 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.683 -0.77 . . . . 70.53 112.444 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -160.71 156.98 26.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.893 0.378 . . . . 71.24 110.931 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.8 p -119.68 151.0 39.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 71.2 111.154 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.1 t -79.24 131.57 36.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 64.42 110.859 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 31.0 p -146.02 176.31 9.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 71.13 110.851 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 49.3 mtt180 -82.42 93.14 7.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 52.43 110.923 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -60.77 -167.75 0.39 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.769 -0.729 . . . . 74.22 112.482 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.2 mt -62.85 -62.65 1.58 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.856 0.36 . . . . 74.43 110.946 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 38.3 m-70 -55.45 -35.68 65.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 75.15 110.866 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 167.08 -51.43 0.24 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.751 -0.738 . . . . 25.54 112.523 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -131.6 168.05 18.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.915 0.388 . . . . 74.05 110.889 -179.795 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 146.27 144.0 4.0 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.694 -0.765 . . . . 72.24 112.455 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.61 133.56 51.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.88 0.371 . . . . 73.2 110.848 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 2.8 m . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.467 . . . . 74.13 110.866 179.967 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' CYS . . . . . 0.54 ' HB2' ' HB3' ' A' ' 4' ' ' ALA . 22.2 p . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.867 0.365 . . . . 64.13 110.85 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -62.97 -52.81 61.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 75.43 111.13 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -60.01 -42.1 93.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 54.44 110.882 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.54 ' HB3' ' HB2' ' A' ' 1' ' ' CYS . . . -51.5 -31.89 25.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 74.4 111.128 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 66.1 t -50.28 -35.47 12.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 60.33 111.156 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -51.86 -62.72 1.45 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 70.14 110.913 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.6 p -71.33 -38.32 71.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 74.43 111.147 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.3 m -55.12 -35.82 65.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 73.44 110.922 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -51.84 -35.56 44.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 74.43 110.857 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.53 -49.32 72.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 74.32 111.136 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 163.32 58.13 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.671 -0.776 . . . . 71.32 112.446 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -146.02 171.96 14.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.865 0.364 . . . . 63.11 110.888 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -121.14 155.38 34.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 74.21 111.156 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 44.1 t -78.43 124.92 28.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.266 -0.424 . . . . 64.14 110.905 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.2 p -146.55 176.29 9.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 74.21 110.883 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.7 ttm180 -85.38 106.66 16.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 75.04 110.861 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -81.68 -149.01 6.85 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.712 -0.756 . . . . 72.24 112.476 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.3 mt -71.4 -62.56 1.36 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.847 0.356 . . . . 74.3 110.915 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 11.2 t60 -60.77 -57.41 12.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 73.13 110.854 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -162.64 -51.4 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.756 -0.735 . . . . 71.34 112.495 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -131.42 179.56 5.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.945 0.402 . . . . 64.31 110.901 -179.781 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 157.39 167.57 18.63 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.791 -0.719 . . . . 52.31 112.525 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 86.9 m -91.12 129.07 37.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.891 0.376 . . . . 71.31 110.867 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 14.0 m . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 75.1 110.904 179.988 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' CYS . . . . . 0.682 ' HB2' ' HB3' ' A' ' 4' ' ' ALA . 10.8 p . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.852 0.358 . . . . 62.23 110.862 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -72.19 -52.83 14.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 41.14 111.113 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -70.24 -36.55 74.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 75.15 110.838 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.682 ' HB3' ' HB2' ' A' ' 1' ' ' CYS . . . -51.44 -31.95 24.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 52.3 111.078 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 85.5 t -50.3 -35.44 12.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 64.53 111.088 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -51.9 -62.69 1.47 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 75.1 110.889 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -71.38 -38.6 71.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 70.32 111.183 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.7 m -54.65 -35.81 63.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 72.13 110.903 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 19.4 mmt180 -51.87 -35.39 44.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 72.51 110.905 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.52 -52.83 62.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 74.23 111.129 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 167.67 58.97 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.746 -0.74 . . . . 62.43 112.473 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -146.07 168.34 21.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.87 0.367 . . . . 74.11 110.908 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.1 155.33 28.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 64.43 111.151 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 46.0 t -79.97 107.7 12.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 74.24 110.915 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.1 m -122.74 168.1 12.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 73.0 110.936 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 67.0 mtm-85 -87.29 97.96 11.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 74.44 110.889 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -70.83 -138.41 0.16 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.717 -0.754 . . . . 33.1 112.491 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 54.7 mt -87.18 -62.59 1.47 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.831 0.348 . . . . 53.15 110.932 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 30.1 p-80 -59.02 -37.93 78.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 75.3 110.852 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 175.75 -51.38 0.12 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.707 -0.758 . . . . 51.52 112.495 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -131.33 179.8 5.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.95 0.405 . . . . 72.2 110.921 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 159.84 136.11 1.97 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.711 -0.756 . . . . 74.34 112.435 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 92.3 m -64.19 130.78 45.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.872 0.368 . . . . 72.25 110.891 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.4 m . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 60.42 110.906 -179.997 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 4.6 t . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.789 0.328 . . . . 74.14 110.861 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' ALA . . . . . 0.516 ' O ' HG12 ' A' ' 5' ' ' VAL . . . -80.1 -52.83 7.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 62.31 111.089 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -84.41 -34.14 23.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.441 . . . . 64.42 110.865 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -50.56 -31.68 16.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 74.23 111.066 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.516 HG12 ' O ' ' A' ' 2' ' ' ALA . 11.0 p -49.82 -32.44 7.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 72.02 111.115 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -64.0 -54.3 36.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 73.54 110.976 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.2 m -67.97 -37.27 81.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.066 -0.515 . . . . 71.45 111.141 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 82.0 m -68.68 -34.15 75.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 63.31 110.902 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.2 mtp180 -51.32 -30.58 18.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 73.23 110.893 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.82 -52.63 62.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 53.14 111.097 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 173.85 52.1 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.719 -0.753 . . . . 74.42 112.452 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 18.0 mp0 -142.1 174.95 10.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.877 0.37 . . . . 72.13 110.918 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 69.3 p -125.19 140.33 52.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 71.43 111.194 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 49.3 t -83.04 133.2 35.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 75.14 110.902 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.6 m -138.54 176.54 8.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 63.04 110.882 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.39 104.92 16.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 63.33 110.844 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -73.69 -143.7 0.71 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.745 -0.741 . . . . 64.41 112.508 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.481 HD12 ' N ' ' A' ' 19' ' ' HIS . 2.8 pp -86.8 -45.97 10.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.786 0.327 . . . . 64.25 110.898 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.481 ' N ' HD12 ' A' ' 18' ' ' LEU . 35.0 p-80 -74.68 -35.6 62.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 62.24 110.891 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 173.18 -51.32 0.16 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.736 -0.745 . . . . 71.43 112.48 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -131.03 178.9 6.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.911 0.386 . . . . 60.1 110.93 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 150.03 128.3 1.58 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.706 -0.759 . . . . 71.2 112.494 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.61 126.76 26.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.896 0.379 . . . . 40.04 110.89 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 74.3 110.901 -179.993 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' CYS . . . . . 0.675 ' HB2' ' HB3' ' A' ' 4' ' ' ALA . 7.4 p . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.89 0.376 . . . . 74.43 110.88 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' ALA . . . . . 0.507 ' O ' HG22 ' A' ' 5' ' ' VAL . . . -79.98 -37.29 34.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 20.3 111.096 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -84.45 -34.55 23.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.236 -0.438 . . . . 73.11 110.861 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.675 ' HB3' ' HB2' ' A' ' 1' ' ' CYS . . . -50.72 -31.81 17.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 72.15 111.078 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.507 HG22 ' O ' ' A' ' 2' ' ' ALA . 17.8 m -50.03 -31.79 7.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 73.12 111.095 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -51.7 -62.71 1.46 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 74.55 110.938 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.7 t -76.22 -34.3 59.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 70.45 111.168 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.2 m -58.16 -36.1 72.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 70.34 110.871 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.76 -35.24 68.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 72.04 110.867 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.5 -38.1 68.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 71.43 111.047 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 159.44 63.69 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.684 -0.77 . . . . 65.33 112.456 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -157.37 169.31 25.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.883 0.373 . . . . 73.34 110.914 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.71 155.55 27.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.192 -0.458 . . . . 72.14 111.107 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -81.52 111.9 18.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 73.01 110.877 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.2 m -109.69 175.96 5.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 60.12 110.876 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 73.7 mtm180 -92.56 83.14 4.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 65.01 110.915 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.67 177.3 0.36 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.704 -0.76 . . . . 44.33 112.439 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.5 mp -51.92 -62.58 1.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.793 0.33 . . . . 74.13 110.905 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -52.34 -35.26 50.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 64.13 110.853 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 163.2 -51.38 0.3 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.74 -0.743 . . . . 44.23 112.448 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -131.44 166.49 21.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.909 0.385 . . . . 74.13 110.936 -179.762 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 150.93 150.38 5.29 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.784 -0.722 . . . . 75.34 112.503 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.607 ' SG ' ' HB1' ' A' ' 4' ' ' ALA . 92.8 m -51.8 136.13 28.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.906 0.384 . . . . 64.0 110.873 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 58.8 m . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 73.12 110.908 -179.976 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.617 ' O ' HG23 ' A' ' 5' ' ' VAL . 18.8 p . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.878 0.371 . . . . 51.44 110.881 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -62.56 -44.64 95.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 72.4 111.089 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 -65.24 -48.18 74.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 73.04 110.903 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.615 ' HB1' ' SG ' ' A' ' 23' ' ' CYS . . . -51.38 -31.97 24.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 34.45 111.109 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 1' ' ' CYS . 68.0 t -50.23 -35.31 11.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 72.51 111.093 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -51.63 -62.76 1.43 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.18 -0.463 . . . . 74.21 110.91 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.89 -40.97 68.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.098 -0.501 . . . . 73.54 111.135 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.3 m -53.21 -35.87 60.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 43.24 110.87 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -51.79 -35.18 42.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 74.03 110.866 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.44 -46.19 76.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 70.53 111.136 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 159.59 60.65 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.754 -0.736 . . . . 71.3 112.481 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -146.08 174.93 10.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.85 0.357 . . . . 64.33 110.927 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.67 155.3 27.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 52.54 111.101 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -91.87 107.85 19.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 74.33 110.924 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.5 m -112.79 174.8 5.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 73.24 110.938 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 53.3 mtm180 -95.39 88.82 5.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 71.1 110.865 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -60.0 -172.01 0.62 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.75 -0.738 . . . . 23.11 112.496 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.432 HD12 ' N ' ' A' ' 19' ' ' HIS . 3.9 pp -64.61 -38.43 90.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.81 0.338 . . . . 63.42 110.911 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.432 ' N ' HD12 ' A' ' 18' ' ' LEU . 9.1 t-80 -77.08 -46.4 23.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 73.22 110.837 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 167.16 -47.01 0.25 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.703 -0.761 . . . . 61.23 112.475 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -130.31 136.01 48.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.898 0.38 . . . . 64.24 110.925 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -170.39 136.1 3.82 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.748 -0.739 . . . . 51.42 112.475 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.615 ' SG ' ' HB1' ' A' ' 4' ' ' ALA . 53.9 m -71.02 142.44 50.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.881 0.372 . . . . 71.2 110.857 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 3.4 m . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 71.14 110.885 179.962 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.636 ' HB2' ' HB3' ' A' ' 4' ' ' ALA . 5.9 p . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.844 0.355 . . . . 63.4 110.902 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -68.88 -52.81 25.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 75.55 111.134 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -61.24 -43.34 99.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 75.05 110.889 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.636 ' HB3' ' HB2' ' A' ' 1' ' ' CYS . . . -51.48 -31.93 25.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 73.53 111.042 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 1' ' ' CYS . 93.0 t -50.49 -37.01 14.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.271 -0.422 . . . . 74.22 111.101 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -51.91 -62.7 1.47 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 74.31 110.925 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 68.4 p -69.7 -35.54 75.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.098 -0.501 . . . . 53.34 111.181 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.2 m -58.47 -36.32 73.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 62.53 110.849 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -51.92 -35.93 47.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 75.04 110.875 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.49 -37.33 67.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 73.32 111.099 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 147.5 59.41 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.714 -0.755 . . . . 54.12 112.51 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -146.03 174.92 10.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.839 0.352 . . . . 73.33 110.913 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.69 155.39 32.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 75.33 111.145 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 53.5 t -75.76 119.74 20.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 72.14 110.895 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 28.0 p -140.57 170.93 14.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 75.12 110.896 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 59.4 mtm180 -90.8 98.95 12.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.457 . . . . 75.34 110.902 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.27 170.66 37.77 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.708 -0.758 . . . . 71.14 112.505 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -51.86 -33.92 38.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.857 0.36 . . . . 73.55 110.903 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 23.2 m-70 -80.56 -45.05 18.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 75.32 110.872 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 163.88 -50.64 0.3 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.711 -0.757 . . . . 54.14 112.493 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -126.91 130.31 49.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.977 0.418 . . . . 53.4 110.917 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -170.61 168.51 41.57 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.706 -0.759 . . . . 73.01 112.478 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 68.8 m -102.81 145.43 29.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.893 0.377 . . . . 73.14 110.863 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 65.6 m . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 72.32 110.916 179.966 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.725 ' HB2' ' HB3' ' A' ' 4' ' ' ALA . 26.7 p . . . . . 0 N--CA 1.458 -0.071 0 CA-C-O 120.846 0.355 . . . . 74.21 110.871 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -52.17 -52.83 49.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 63.14 111.11 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -66.89 -45.3 78.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.226 -0.443 . . . . 71.33 110.884 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.725 ' HB3' ' HB2' ' A' ' 1' ' ' CYS . . . -51.5 -31.94 25.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 53.55 111.122 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.707 HG23 ' O ' ' A' ' 1' ' ' CYS . 95.4 t -50.0 -34.77 10.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 71.32 111.166 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -51.86 -62.71 1.46 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.137 -0.483 . . . . 71.33 110.943 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.6 m -73.24 -44.55 59.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 63.42 111.135 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 94.4 m -51.67 -35.15 41.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 70.22 110.892 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.2 mtt-85 -51.62 -34.88 39.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 75.53 110.91 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.47 -52.88 62.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 74.04 111.152 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -176.41 64.68 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.694 -0.765 . . . . 65.01 112.428 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -160.78 162.65 32.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.889 0.376 . . . . 73.05 110.909 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -125.13 155.17 40.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 64.22 111.149 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.4 t -80.47 134.94 36.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 72.23 110.896 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.7 m -137.15 176.23 8.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 54.3 110.854 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.9 mpp_? -79.63 105.07 10.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 75.45 110.865 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -79.2 172.2 55.13 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.722 -0.752 . . . . 45.41 112.479 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.8 mp -55.17 -42.0 72.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.885 0.374 . . . . 73.44 110.963 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 9.4 t-160 -78.04 -38.58 44.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.156 -0.475 . . . . 74.01 110.859 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 167.91 -48.83 0.24 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.717 -0.754 . . . . 72.11 112.464 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -129.71 153.11 48.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.944 0.402 . . . . 72.23 110.927 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 159.78 132.88 1.41 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.718 -0.753 . . . . 71.44 112.485 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 2.6 m -60.41 143.8 52.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.852 0.358 . . . . 73.1 110.865 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 12.2 m . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 75.32 110.846 180.0 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.789 ' HB2' ' HB3' ' A' ' 4' ' ' ALA . 5.6 p . . . . . 0 N--CA 1.457 -0.078 0 CA-C-O 120.906 0.384 . . . . 71.44 110.854 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.44 -52.82 7.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.484 . . . . 42.2 111.08 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -74.97 -37.43 61.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 62.53 110.905 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.789 ' HB3' ' HB2' ' A' ' 1' ' ' CYS . . . -51.38 -31.79 23.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 71.52 111.153 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 1' ' ' CYS . 93.8 t -50.17 -35.5 11.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 43.13 111.099 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -51.72 -60.85 2.69 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.214 -0.448 . . . . 72.33 110.917 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 78.9 p -72.06 -35.57 69.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.117 -0.492 . . . . 70.3 111.134 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -51.86 -35.09 43.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 61.0 110.899 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.8 mmm180 -51.34 -34.89 35.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 74.31 110.91 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.46 -50.8 68.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 51.12 111.085 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 160.02 61.18 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.759 -0.734 . . . . 71.41 112.482 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -136.91 174.92 10.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.852 0.358 . . . . 72.01 110.932 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 64.8 p -129.03 130.2 46.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 53.3 111.127 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 17.7 t -55.14 117.9 3.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.453 . . . . 60.13 110.884 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 80.2 m -122.16 169.17 11.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 75.31 110.839 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 33.7 mtp85 -102.59 73.31 1.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 61.13 110.874 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -58.99 -172.75 0.46 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.736 -0.745 . . . . 51.44 112.488 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 13.6 mt -58.37 -53.82 53.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.833 0.349 . . . . 72.42 110.893 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 20.0 t60 -51.99 -47.76 64.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 73.03 110.887 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 153.19 -50.76 0.49 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.75 -0.738 . . . . 33.21 112.536 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -130.33 137.38 49.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.897 0.38 . . . . 73.2 110.911 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 174.88 131.67 1.46 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.752 -0.737 . . . . 53.45 112.479 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 14.7 m -73.86 125.18 27.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.897 0.38 . . . . 33.41 110.892 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 20.3 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 64.41 110.878 -179.997 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.713 ' HB2' ' HB3' ' A' ' 4' ' ' ALA . 24.4 p . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.813 0.339 . . . . 74.25 110.865 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -57.18 -52.76 64.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 51.22 111.091 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -68.9 -36.14 77.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 64.44 110.835 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.713 ' HB3' ' HB2' ' A' ' 1' ' ' CYS . . . -59.49 -31.71 69.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.424 . . . . 60.13 111.079 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.707 HG23 ' O ' ' A' ' 1' ' ' CYS . 97.9 t -50.24 -35.09 11.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 73.22 111.116 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -51.72 -62.73 1.45 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 73.15 110.903 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 23.4 p -72.84 -43.89 62.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 74.21 111.124 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 88.8 m -51.79 -35.38 43.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 73.33 110.889 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.3 mtm180 -51.48 -33.3 30.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 72.4 110.838 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.16 -35.36 64.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 60.02 111.105 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 160.59 68.98 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.782 -0.723 . . . . 53.53 112.525 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -149.27 174.88 11.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.893 0.378 . . . . 60.51 110.889 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 47.8 p -129.95 122.79 29.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 65.5 111.182 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -78.37 107.86 11.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 61.3 110.921 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.8 m -104.82 176.31 5.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 73.23 110.902 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.5 92.75 9.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 61.45 110.827 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -72.33 176.31 41.64 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.687 -0.768 . . . . 74.24 112.485 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.0 mt -52.0 -60.87 2.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.833 0.349 . . . . 64.34 110.937 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 57.9 m80 -54.53 -37.09 64.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 74.42 110.875 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 160.35 -50.36 0.37 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.756 -0.735 . . . . 53.51 112.487 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -130.31 158.07 40.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.891 0.377 . . . . 74.11 110.93 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 169.79 130.36 1.2 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.754 -0.736 . . . . 71.11 112.475 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.3 m -72.94 125.37 27.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.889 0.376 . . . . 43.2 110.885 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 36.4 m . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 72.53 110.896 179.978 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.804 ' HB2' ' HB3' ' A' ' 4' ' ' ALA . 5.4 p . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.876 0.37 . . . . 63.11 110.865 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.515 ' O ' HG12 ' A' ' 5' ' ' VAL . . . -79.02 -51.2 9.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 62.53 111.066 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -84.43 -34.13 23.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.288 -0.415 . . . . 72.31 110.847 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.804 ' HB3' ' HB2' ' A' ' 1' ' ' CYS . . . -50.54 -31.89 16.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 62.55 111.143 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.515 HG12 ' O ' ' A' ' 2' ' ' ALA . 10.7 p -50.1 -32.2 8.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 53.2 111.126 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -51.99 -62.68 1.48 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 63.33 110.955 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.0 m -71.52 -37.83 71.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 73.14 111.122 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.3 m -55.4 -36.0 65.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 75.14 110.88 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.3 mtt85 -51.99 -35.89 48.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 72.51 110.878 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.52 -36.23 66.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 22.22 111.104 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 146.56 67.68 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.77 -0.729 . . . . 65.01 112.508 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -143.59 174.91 10.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.882 0.372 . . . . 75.1 110.916 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.7 p -115.67 128.23 55.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 60.24 111.111 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -68.93 110.13 4.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.435 . . . . 62.13 110.848 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 25.8 p -127.82 176.24 7.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 73.4 110.899 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.8 mmm180 -71.24 116.67 11.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 63.25 110.84 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -81.57 -178.07 52.17 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.741 -0.742 . . . . 52.21 112.506 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.8 mt -64.33 -47.67 78.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.765 0.317 . . . . 71.43 110.89 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 47.8 t-80 -84.26 -38.99 19.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 64.31 110.813 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -172.53 -50.78 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.757 -0.735 . . . . 64.45 112.47 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -130.28 152.01 50.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.959 0.409 . . . . 72.03 110.878 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -170.69 145.24 8.87 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.773 -0.727 . . . . 53.14 112.533 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 57.5 m -80.8 125.82 30.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.83 0.347 . . . . 72.12 110.892 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 62.43 110.853 -179.969 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.682 ' HB2' ' HB3' ' A' ' 4' ' ' ALA . 11.9 p . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.854 0.359 . . . . 74.02 110.894 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.517 ' O ' HG12 ' A' ' 5' ' ' VAL . . . -68.03 -52.81 31.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 73.42 111.132 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -84.36 -34.24 23.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 74.5 110.846 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.682 ' HB3' ' HB2' ' A' ' 1' ' ' CYS . . . -50.52 -31.97 17.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 63.1 111.11 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.517 HG12 ' O ' ' A' ' 2' ' ' ALA . 10.6 p -49.88 -32.13 7.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 74.11 111.166 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -51.97 -61.51 2.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 64.05 110.947 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 43.1 p -72.38 -44.21 62.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.13 -0.486 . . . . 63.15 111.188 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 78.4 m -51.92 -35.97 47.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 70.53 110.839 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.4 mmt180 -51.88 -35.85 46.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 60.13 110.885 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.53 -52.97 61.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 62.35 111.082 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -178.59 63.29 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.726 -0.75 . . . . 72.31 112.486 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -160.73 153.94 21.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.868 0.366 . . . . 75.11 110.894 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.67 155.3 27.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 61.41 111.115 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.7 t -79.51 135.03 36.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 61.31 110.855 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 58.6 m -130.69 163.45 27.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 52.12 110.867 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 52.6 ttp85 -82.21 82.59 7.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 72.43 110.879 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -61.07 -178.51 2.4 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.717 -0.754 . . . . 65.12 112.473 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 22.0 mt -58.82 -53.82 54.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.89 0.376 . . . . 72.22 110.972 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 10.7 t-160 -60.0 -54.59 44.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 71.21 110.842 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 176.85 -49.96 0.11 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.74 -0.743 . . . . 72.21 112.454 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 33.7 m-85 -129.26 146.91 51.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.96 0.409 . . . . 65.25 110.909 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 168.1 130.99 1.23 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.698 -0.763 . . . . 53.34 112.461 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 2.4 m -67.44 144.91 55.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.946 0.403 . . . . 53.34 110.845 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 19.9 m . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 74.2 110.873 -179.989 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.57 ' HB2' ' HB3' ' A' ' 4' ' ' ALA . 9.2 p . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.844 0.354 . . . . 71.21 110.87 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.518 ' O ' HG12 ' A' ' 5' ' ' VAL . . . -59.15 -52.76 64.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 55.43 111.117 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -84.42 -34.32 23.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.431 . . . . 73.41 110.856 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.57 ' HB3' ' HB2' ' A' ' 1' ' ' CYS . . . -50.61 -31.79 16.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 71.4 111.096 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.518 HG12 ' O ' ' A' ' 2' ' ' ALA . 10.5 p -50.02 -31.92 7.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 51.11 111.095 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -51.69 -62.69 1.47 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 73.15 110.936 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 68.6 p -77.75 -40.41 41.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 72.43 111.166 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 68.7 m -51.95 -35.19 45.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 72.25 110.895 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.5 mmp_? -51.45 -34.48 35.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 71.15 110.823 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.4 -35.38 65.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 65.52 111.072 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 158.04 70.42 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.757 -0.735 . . . . 72.14 112.527 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -145.02 174.92 10.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.889 0.376 . . . . 63.43 110.88 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 38.0 p -134.31 122.89 23.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 74.15 111.133 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 10.2 t -65.14 114.83 4.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 42.13 110.899 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 59.2 m -116.39 172.43 7.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 55.43 110.889 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 71.6 mtt180 -106.71 88.07 2.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 70.31 110.892 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -73.97 -166.17 13.15 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.72 -0.753 . . . . 61.04 112.515 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 29.3 mt -62.75 -39.35 93.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.838 0.351 . . . . 74.24 110.962 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -68.93 -42.16 77.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 73.14 110.854 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 145.95 -50.7 0.61 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.692 -0.766 . . . . 40.33 112.487 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 49.3 m-85 -129.58 135.92 49.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.923 0.392 . . . . 73.54 110.911 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 173.91 127.93 1.03 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.753 -0.737 . . . . 74.13 112.499 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.9 m -63.52 140.37 58.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.861 0.362 . . . . 72.4 110.904 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 10.0 m . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 34.34 110.849 -179.961 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 7.4 t . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.812 0.339 . . . . 64.54 110.862 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.514 ' O ' HG12 ' A' ' 5' ' ' VAL . . . -79.88 -52.71 7.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 54.42 111.114 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -84.3 -34.13 23.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 73.45 110.857 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -50.36 -32.01 16.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 63.13 111.094 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.514 HG12 ' O ' ' A' ' 2' ' ' ALA . 10.8 p -50.18 -32.25 8.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 74.03 111.117 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -51.96 -62.75 1.43 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 72.23 110.928 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.3 m -69.11 -43.07 75.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.116 -0.493 . . . . 60.24 111.145 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -52.44 -36.04 53.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 73.51 110.836 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.1 mmm180 -60.12 -34.77 73.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 63.1 110.863 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.41 -52.98 61.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 71.25 111.079 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 177.49 66.73 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.723 -0.751 . . . . 63.13 112.491 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -160.77 169.22 23.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.838 0.351 . . . . 73.45 110.944 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.2 p -120.44 125.37 47.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 74.11 111.126 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 44.7 t -67.17 127.75 33.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 73.35 110.921 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.8 m -126.16 170.36 11.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 73.34 110.906 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -94.95 93.03 7.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 73.45 110.891 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -65.04 164.96 35.29 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.795 -0.717 . . . . 70.53 112.45 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -52.07 -33.5 39.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.83 0.348 . . . . 75.43 110.935 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 59.0 t-80 -77.0 -38.98 51.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 73.54 110.856 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 158.68 -50.82 0.4 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.731 -0.747 . . . . 33.5 112.461 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -130.27 144.31 51.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.928 0.394 . . . . 73.44 110.944 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 176.38 125.69 0.91 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.754 -0.736 . . . . 53.44 112.505 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 18.5 m -77.38 144.7 37.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.875 0.369 . . . . 72.44 110.849 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 87.8 m . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 70.01 110.875 -179.981 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.491 ' O ' HG23 ' A' ' 5' ' ' VAL . 27.0 p . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.833 0.349 . . . . 54.5 110.871 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.95 -52.75 7.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 60.35 111.112 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -58.31 -37.99 76.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 70.45 110.825 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.417 ' HB1' ' SG ' ' A' ' 8' ' ' CYS . . . -60.98 -31.88 71.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 24.32 111.126 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 1' ' ' CYS . 97.5 t -49.6 -31.51 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 74.24 111.128 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -49.67 -62.74 1.39 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 72.31 110.932 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.2 p -82.91 -43.33 16.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.097 -0.501 . . . . 71.43 111.157 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.417 ' SG ' ' HB1' ' A' ' 4' ' ' ALA . 88.4 m -51.55 -30.57 21.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 74.05 110.905 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.6 mmt180 -50.89 -31.83 18.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 72.12 110.903 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.29 -39.92 70.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 74.14 111.089 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 172.27 66.39 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.766 -0.73 . . . . 53.14 112.517 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -157.36 156.26 31.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.85 0.357 . . . . 73.33 110.925 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.94 157.94 23.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 54.13 111.176 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 41.9 t -73.54 122.99 23.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 73.33 110.857 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.4 m -139.2 177.09 8.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 60.43 110.87 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.2 ptt180 -144.23 116.51 8.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 64.52 110.885 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -81.67 -136.25 2.09 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.771 -0.728 . . . . 43.2 112.484 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.433 HD12 ' N ' ' A' ' 19' ' ' HIS . 3.9 pp -87.37 -35.76 18.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.845 0.355 . . . . 72.15 110.898 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.433 ' N ' HD12 ' A' ' 18' ' ' LEU . 9.4 m-70 -64.01 -57.62 9.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 74.0 110.844 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 178.3 -46.94 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.725 -0.75 . . . . 54.45 112.493 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -130.67 -177.12 4.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.905 0.383 . . . . 74.13 110.921 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 163.66 143.26 3.64 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.726 -0.749 . . . . 72.41 112.475 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -103.21 125.24 49.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.907 0.384 . . . . 73.44 110.849 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 77.4 m . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 64.33 110.862 -179.989 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.669 ' HB2' ' HB3' ' A' ' 4' ' ' ALA . 26.8 p . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.83 0.348 . . . . 53.33 110.84 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -58.67 -52.86 63.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 61.31 111.11 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -63.1 -39.02 93.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 74.21 110.881 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.669 ' HB3' ' HB2' ' A' ' 1' ' ' CYS . . . -59.29 -31.3 69.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 53.33 111.096 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 1' ' ' CYS . 80.0 t -49.93 -35.7 11.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 62.3 111.137 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -51.86 -54.01 33.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 71.53 110.952 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.9 p -74.81 -44.32 49.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 75.44 111.188 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 75.9 m -51.91 -35.89 47.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 74.43 110.885 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -51.83 -35.55 44.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 70.21 110.892 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.47 -48.35 74.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 73.14 111.12 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 172.46 60.64 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.683 -0.77 . . . . 70.53 112.444 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -160.71 156.98 26.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.893 0.378 . . . . 71.24 110.931 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.8 p -119.68 151.0 39.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 71.2 111.154 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.1 t -79.24 131.57 36.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 64.42 110.859 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 31.0 p -146.02 176.31 9.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 71.13 110.851 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 49.3 mtt180 -82.42 93.14 7.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 52.43 110.923 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -60.77 -167.75 0.39 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.769 -0.729 . . . . 74.22 112.482 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.2 mt -62.85 -62.65 1.58 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.856 0.36 . . . . 74.43 110.946 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 38.3 m-70 -55.45 -35.68 65.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 75.15 110.866 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 167.08 -51.43 0.24 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.751 -0.738 . . . . 25.54 112.523 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -131.6 168.05 18.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.915 0.388 . . . . 74.05 110.889 -179.795 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 146.27 144.0 4.0 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.694 -0.765 . . . . 72.24 112.455 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.61 133.56 51.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.88 0.371 . . . . 73.2 110.848 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 2.8 m . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.467 . . . . 74.13 110.866 179.967 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.54 ' HB2' ' HB3' ' A' ' 4' ' ' ALA . 22.2 p . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.867 0.365 . . . . 64.13 110.85 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -62.97 -52.81 61.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 75.43 111.13 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -60.01 -42.1 93.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 54.44 110.882 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.54 ' HB3' ' HB2' ' A' ' 1' ' ' CYS . . . -51.5 -31.89 25.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 74.4 111.128 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 66.1 t -50.28 -35.47 12.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 60.33 111.156 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -51.86 -62.72 1.45 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 70.14 110.913 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.6 p -71.33 -38.32 71.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 74.43 111.147 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.3 m -55.12 -35.82 65.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 73.44 110.922 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -51.84 -35.56 44.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 74.43 110.857 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.53 -49.32 72.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 74.32 111.136 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 163.32 58.13 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.671 -0.776 . . . . 71.32 112.446 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -146.02 171.96 14.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.865 0.364 . . . . 63.11 110.888 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -121.14 155.38 34.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 74.21 111.156 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 44.1 t -78.43 124.92 28.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.266 -0.424 . . . . 64.14 110.905 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.2 p -146.55 176.29 9.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 74.21 110.883 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.7 ttm180 -85.38 106.66 16.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 75.04 110.861 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -81.68 -149.01 6.85 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.712 -0.756 . . . . 72.24 112.476 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.3 mt -71.4 -62.56 1.36 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.847 0.356 . . . . 74.3 110.915 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 11.2 t60 -60.77 -57.41 12.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 73.13 110.854 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -162.64 -51.4 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.756 -0.735 . . . . 71.34 112.495 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -131.42 179.56 5.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.945 0.402 . . . . 64.31 110.901 -179.781 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 157.39 167.57 18.63 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.791 -0.719 . . . . 52.31 112.525 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 86.9 m -91.12 129.07 37.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.891 0.376 . . . . 71.31 110.867 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 14.0 m . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 75.1 110.904 179.988 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.682 ' HB2' ' HB3' ' A' ' 4' ' ' ALA . 10.8 p . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.852 0.358 . . . . 62.23 110.862 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -72.19 -52.83 14.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 41.14 111.113 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -70.24 -36.55 74.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 75.15 110.838 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.682 ' HB3' ' HB2' ' A' ' 1' ' ' CYS . . . -51.44 -31.95 24.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 52.3 111.078 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 85.5 t -50.3 -35.44 12.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 64.53 111.088 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -51.9 -62.69 1.47 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 75.1 110.889 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -71.38 -38.6 71.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 70.32 111.183 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.7 m -54.65 -35.81 63.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 72.13 110.903 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 19.4 mmt180 -51.87 -35.39 44.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 72.51 110.905 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.52 -52.83 62.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 74.23 111.129 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 167.67 58.97 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.746 -0.74 . . . . 62.43 112.473 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -146.07 168.34 21.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.87 0.367 . . . . 74.11 110.908 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.1 155.33 28.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 64.43 111.151 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 46.0 t -79.97 107.7 12.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 74.24 110.915 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.1 m -122.74 168.1 12.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 73.0 110.936 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 67.0 mtm-85 -87.29 97.96 11.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 74.44 110.889 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -70.83 -138.41 0.16 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.717 -0.754 . . . . 33.1 112.491 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 54.7 mt -87.18 -62.59 1.47 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.831 0.348 . . . . 53.15 110.932 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 30.1 p-80 -59.02 -37.93 78.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 75.3 110.852 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 175.75 -51.38 0.12 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.707 -0.758 . . . . 51.52 112.495 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -131.33 179.8 5.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.95 0.405 . . . . 72.2 110.921 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 159.84 136.11 1.97 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.711 -0.756 . . . . 74.34 112.435 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 92.3 m -64.19 130.78 45.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.872 0.368 . . . . 72.25 110.891 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.4 m . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 60.42 110.906 -179.997 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 4.6 t . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.789 0.328 . . . . 74.14 110.861 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.516 ' O ' HG12 ' A' ' 5' ' ' VAL . . . -80.1 -52.83 7.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 62.31 111.089 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -84.41 -34.14 23.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.441 . . . . 64.42 110.865 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -50.56 -31.68 16.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 74.23 111.066 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.516 HG12 ' O ' ' A' ' 2' ' ' ALA . 11.0 p -49.82 -32.44 7.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 72.02 111.115 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -64.0 -54.3 36.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 73.54 110.976 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.2 m -67.97 -37.27 81.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.066 -0.515 . . . . 71.45 111.141 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 82.0 m -68.68 -34.15 75.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 63.31 110.902 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.2 mtp180 -51.32 -30.58 18.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 73.23 110.893 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.82 -52.63 62.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 53.14 111.097 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 173.85 52.1 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.719 -0.753 . . . . 74.42 112.452 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 18.0 mp0 -142.1 174.95 10.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.877 0.37 . . . . 72.13 110.918 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 69.3 p -125.19 140.33 52.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 71.43 111.194 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 49.3 t -83.04 133.2 35.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 75.14 110.902 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.6 m -138.54 176.54 8.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 63.04 110.882 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.39 104.92 16.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 63.33 110.844 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -73.69 -143.7 0.71 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.745 -0.741 . . . . 64.41 112.508 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.481 HD12 ' N ' ' A' ' 19' ' ' HIS . 2.8 pp -86.8 -45.97 10.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.786 0.327 . . . . 64.25 110.898 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.481 ' N ' HD12 ' A' ' 18' ' ' LEU . 35.0 p-80 -74.68 -35.6 62.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 62.24 110.891 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 173.18 -51.32 0.16 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.736 -0.745 . . . . 71.43 112.48 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -131.03 178.9 6.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.911 0.386 . . . . 60.1 110.93 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 150.03 128.3 1.58 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.706 -0.759 . . . . 71.2 112.494 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.61 126.76 26.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.896 0.379 . . . . 40.04 110.89 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 74.3 110.901 -179.993 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.675 ' HB2' ' HB3' ' A' ' 4' ' ' ALA . 7.4 p . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.89 0.376 . . . . 74.43 110.88 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.507 ' O ' HG22 ' A' ' 5' ' ' VAL . . . -79.98 -37.29 34.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 20.3 111.096 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -84.45 -34.55 23.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.236 -0.438 . . . . 73.11 110.861 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.675 ' HB3' ' HB2' ' A' ' 1' ' ' CYS . . . -50.72 -31.81 17.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 72.15 111.078 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.507 HG22 ' O ' ' A' ' 2' ' ' ALA . 17.8 m -50.03 -31.79 7.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 73.12 111.095 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -51.7 -62.71 1.46 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 74.55 110.938 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.7 t -76.22 -34.3 59.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 70.45 111.168 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.2 m -58.16 -36.1 72.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 70.34 110.871 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.76 -35.24 68.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 72.04 110.867 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.5 -38.1 68.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 71.43 111.047 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 159.44 63.69 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.684 -0.77 . . . . 65.33 112.456 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -157.37 169.31 25.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.883 0.373 . . . . 73.34 110.914 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.71 155.55 27.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.192 -0.458 . . . . 72.14 111.107 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -81.52 111.9 18.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 73.01 110.877 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.2 m -109.69 175.96 5.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 60.12 110.876 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 73.7 mtm180 -92.56 83.14 4.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 65.01 110.915 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.67 177.3 0.36 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.704 -0.76 . . . . 44.33 112.439 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.5 mp -51.92 -62.58 1.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.793 0.33 . . . . 74.13 110.905 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -52.34 -35.26 50.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 64.13 110.853 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 163.2 -51.38 0.3 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.74 -0.743 . . . . 44.23 112.448 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -131.44 166.49 21.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.909 0.385 . . . . 74.13 110.936 -179.762 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 150.93 150.38 5.29 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.784 -0.722 . . . . 75.34 112.503 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.607 ' SG ' ' HB1' ' A' ' 4' ' ' ALA . 92.8 m -51.8 136.13 28.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.906 0.384 . . . . 64.0 110.873 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 58.8 m . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 73.12 110.908 -179.976 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . 0.617 ' O ' HG23 ' A' ' 5' ' ' VAL . 18.8 p . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.878 0.371 . . . . 51.44 110.881 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -62.56 -44.64 95.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 72.4 111.089 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 -65.24 -48.18 74.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 73.04 110.903 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.615 ' HB1' ' SG ' ' A' ' 23' ' ' CYS . . . -51.38 -31.97 24.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 34.45 111.109 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 1' ' ' CYS . 68.0 t -50.23 -35.31 11.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 72.51 111.093 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -51.63 -62.76 1.43 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.18 -0.463 . . . . 74.21 110.91 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.89 -40.97 68.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.098 -0.501 . . . . 73.54 111.135 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.3 m -53.21 -35.87 60.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 43.24 110.87 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -51.79 -35.18 42.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 74.03 110.866 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.44 -46.19 76.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 70.53 111.136 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 159.59 60.65 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.754 -0.736 . . . . 71.3 112.481 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -146.08 174.93 10.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.85 0.357 . . . . 64.33 110.927 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.67 155.3 27.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 52.54 111.101 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -91.87 107.85 19.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 74.33 110.924 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.5 m -112.79 174.8 5.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 73.24 110.938 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 53.3 mtm180 -95.39 88.82 5.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 71.1 110.865 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -60.0 -172.01 0.62 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.75 -0.738 . . . . 23.11 112.496 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.432 HD12 ' N ' ' A' ' 19' ' ' HIS . 3.9 pp -64.61 -38.43 90.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.81 0.338 . . . . 63.42 110.911 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.432 ' N ' HD12 ' A' ' 18' ' ' LEU . 9.1 t-80 -77.08 -46.4 23.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 73.22 110.837 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 167.16 -47.01 0.25 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.703 -0.761 . . . . 61.23 112.475 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -130.31 136.01 48.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.898 0.38 . . . . 64.24 110.925 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -170.39 136.1 3.82 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.748 -0.739 . . . . 51.42 112.475 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.615 ' SG ' ' HB1' ' A' ' 4' ' ' ALA . 53.9 m -71.02 142.44 50.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.881 0.372 . . . . 71.2 110.857 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 3.4 m . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 71.14 110.885 179.962 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . 0.636 ' HB2' ' HB3' ' A' ' 4' ' ' ALA . 5.9 p . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.844 0.355 . . . . 63.4 110.902 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -68.88 -52.81 25.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 75.55 111.134 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -61.24 -43.34 99.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 75.05 110.889 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.636 ' HB3' ' HB2' ' A' ' 1' ' ' CYS . . . -51.48 -31.93 25.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 73.53 111.042 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 1' ' ' CYS . 93.0 t -50.49 -37.01 14.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.271 -0.422 . . . . 74.22 111.101 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -51.91 -62.7 1.47 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 74.31 110.925 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 68.4 p -69.7 -35.54 75.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.098 -0.501 . . . . 53.34 111.181 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.2 m -58.47 -36.32 73.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 62.53 110.849 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -51.92 -35.93 47.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 75.04 110.875 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.49 -37.33 67.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 73.32 111.099 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 147.5 59.41 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.714 -0.755 . . . . 54.12 112.51 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -146.03 174.92 10.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.839 0.352 . . . . 73.33 110.913 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.69 155.39 32.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 75.33 111.145 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 53.5 t -75.76 119.74 20.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 72.14 110.895 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 28.0 p -140.57 170.93 14.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 75.12 110.896 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 59.4 mtm180 -90.8 98.95 12.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.457 . . . . 75.34 110.902 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.27 170.66 37.77 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.708 -0.758 . . . . 71.14 112.505 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -51.86 -33.92 38.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.857 0.36 . . . . 73.55 110.903 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 23.2 m-70 -80.56 -45.05 18.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 75.32 110.872 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 163.88 -50.64 0.3 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.711 -0.757 . . . . 54.14 112.493 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -126.91 130.31 49.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.977 0.418 . . . . 53.4 110.917 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -170.61 168.51 41.57 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.706 -0.759 . . . . 73.01 112.478 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 68.8 m -102.81 145.43 29.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.893 0.377 . . . . 73.14 110.863 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 65.6 m . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 72.32 110.916 179.966 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . 0.725 ' HB2' ' HB3' ' A' ' 4' ' ' ALA . 26.7 p . . . . . 0 N--CA 1.458 -0.071 0 CA-C-O 120.846 0.355 . . . . 74.21 110.871 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -52.17 -52.83 49.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 63.14 111.11 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -66.89 -45.3 78.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.226 -0.443 . . . . 71.33 110.884 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.725 ' HB3' ' HB2' ' A' ' 1' ' ' CYS . . . -51.5 -31.94 25.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 53.55 111.122 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.707 HG23 ' O ' ' A' ' 1' ' ' CYS . 95.4 t -50.0 -34.77 10.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 71.32 111.166 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -51.86 -62.71 1.46 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.137 -0.483 . . . . 71.33 110.943 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.6 m -73.24 -44.55 59.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 63.42 111.135 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 94.4 m -51.67 -35.15 41.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 70.22 110.892 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.2 mtt-85 -51.62 -34.88 39.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 75.53 110.91 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.47 -52.88 62.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 74.04 111.152 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -176.41 64.68 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.694 -0.765 . . . . 65.01 112.428 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -160.78 162.65 32.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.889 0.376 . . . . 73.05 110.909 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -125.13 155.17 40.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 64.22 111.149 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.4 t -80.47 134.94 36.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 72.23 110.896 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.7 m -137.15 176.23 8.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 54.3 110.854 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.9 mpp_? -79.63 105.07 10.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 75.45 110.865 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -79.2 172.2 55.13 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.722 -0.752 . . . . 45.41 112.479 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.8 mp -55.17 -42.0 72.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.885 0.374 . . . . 73.44 110.963 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 9.4 t-160 -78.04 -38.58 44.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.156 -0.475 . . . . 74.01 110.859 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 167.91 -48.83 0.24 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.717 -0.754 . . . . 72.11 112.464 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -129.71 153.11 48.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.944 0.402 . . . . 72.23 110.927 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 159.78 132.88 1.41 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.718 -0.753 . . . . 71.44 112.485 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 2.6 m -60.41 143.8 52.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.852 0.358 . . . . 73.1 110.865 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 12.2 m . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 75.32 110.846 180.0 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . 0.789 ' HB2' ' HB3' ' A' ' 4' ' ' ALA . 5.6 p . . . . . 0 N--CA 1.457 -0.078 0 CA-C-O 120.906 0.384 . . . . 71.44 110.854 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.44 -52.82 7.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.484 . . . . 42.2 111.08 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -74.97 -37.43 61.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 62.53 110.905 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.789 ' HB3' ' HB2' ' A' ' 1' ' ' CYS . . . -51.38 -31.79 23.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 71.52 111.153 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 1' ' ' CYS . 93.8 t -50.17 -35.5 11.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 43.13 111.099 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -51.72 -60.85 2.69 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.214 -0.448 . . . . 72.33 110.917 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 78.9 p -72.06 -35.57 69.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.117 -0.492 . . . . 70.3 111.134 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -51.86 -35.09 43.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 61.0 110.899 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.8 mmm180 -51.34 -34.89 35.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 74.31 110.91 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.46 -50.8 68.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 51.12 111.085 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 160.02 61.18 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.759 -0.734 . . . . 71.41 112.482 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -136.91 174.92 10.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.852 0.358 . . . . 72.01 110.932 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 64.8 p -129.03 130.2 46.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 53.3 111.127 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 17.7 t -55.14 117.9 3.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.453 . . . . 60.13 110.884 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 80.2 m -122.16 169.17 11.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 75.31 110.839 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 33.7 mtp85 -102.59 73.31 1.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 61.13 110.874 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -58.99 -172.75 0.46 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.736 -0.745 . . . . 51.44 112.488 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 13.6 mt -58.37 -53.82 53.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.833 0.349 . . . . 72.42 110.893 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 20.0 t60 -51.99 -47.76 64.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 73.03 110.887 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 153.19 -50.76 0.49 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.75 -0.738 . . . . 33.21 112.536 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -130.33 137.38 49.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.897 0.38 . . . . 73.2 110.911 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 174.88 131.67 1.46 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.752 -0.737 . . . . 53.45 112.479 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 14.7 m -73.86 125.18 27.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.897 0.38 . . . . 33.41 110.892 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 20.3 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 64.41 110.878 -179.997 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . 0.713 ' HB2' ' HB3' ' A' ' 4' ' ' ALA . 24.4 p . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.813 0.339 . . . . 74.25 110.865 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -57.18 -52.76 64.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 51.22 111.091 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -68.9 -36.14 77.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 64.44 110.835 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.713 ' HB3' ' HB2' ' A' ' 1' ' ' CYS . . . -59.49 -31.71 69.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.424 . . . . 60.13 111.079 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.707 HG23 ' O ' ' A' ' 1' ' ' CYS . 97.9 t -50.24 -35.09 11.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 73.22 111.116 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -51.72 -62.73 1.45 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 73.15 110.903 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 23.4 p -72.84 -43.89 62.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 74.21 111.124 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 88.8 m -51.79 -35.38 43.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 73.33 110.889 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.3 mtm180 -51.48 -33.3 30.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 72.4 110.838 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.16 -35.36 64.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 60.02 111.105 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 160.59 68.98 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.782 -0.723 . . . . 53.53 112.525 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -149.27 174.88 11.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.893 0.378 . . . . 60.51 110.889 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 47.8 p -129.95 122.79 29.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 65.5 111.182 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -78.37 107.86 11.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 61.3 110.921 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.8 m -104.82 176.31 5.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 73.23 110.902 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.5 92.75 9.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 61.45 110.827 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -72.33 176.31 41.64 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.687 -0.768 . . . . 74.24 112.485 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.0 mt -52.0 -60.87 2.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.833 0.349 . . . . 64.34 110.937 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 57.9 m80 -54.53 -37.09 64.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 74.42 110.875 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 160.35 -50.36 0.37 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.756 -0.735 . . . . 53.51 112.487 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -130.31 158.07 40.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.891 0.377 . . . . 74.11 110.93 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 169.79 130.36 1.2 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.754 -0.736 . . . . 71.11 112.475 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.3 m -72.94 125.37 27.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.889 0.376 . . . . 43.2 110.885 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 36.4 m . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 72.53 110.896 179.978 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . 0.804 ' HB2' ' HB3' ' A' ' 4' ' ' ALA . 5.4 p . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.876 0.37 . . . . 63.11 110.865 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . 0.515 ' O ' HG12 ' A' ' 5' ' ' VAL . . . -79.02 -51.2 9.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 62.53 111.066 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -84.43 -34.13 23.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.288 -0.415 . . . . 72.31 110.847 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.804 ' HB3' ' HB2' ' A' ' 1' ' ' CYS . . . -50.54 -31.89 16.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 62.55 111.143 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.515 HG12 ' O ' ' A' ' 2' ' ' ALA . 10.7 p -50.1 -32.2 8.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 53.2 111.126 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -51.99 -62.68 1.48 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 63.33 110.955 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.0 m -71.52 -37.83 71.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 73.14 111.122 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.3 m -55.4 -36.0 65.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 75.14 110.88 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.3 mtt85 -51.99 -35.89 48.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 72.51 110.878 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.52 -36.23 66.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 22.22 111.104 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 146.56 67.68 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.77 -0.729 . . . . 65.01 112.508 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -143.59 174.91 10.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.882 0.372 . . . . 75.1 110.916 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.7 p -115.67 128.23 55.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 60.24 111.111 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -68.93 110.13 4.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.435 . . . . 62.13 110.848 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 25.8 p -127.82 176.24 7.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 73.4 110.899 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.8 mmm180 -71.24 116.67 11.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 63.25 110.84 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -81.57 -178.07 52.17 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.741 -0.742 . . . . 52.21 112.506 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.8 mt -64.33 -47.67 78.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.765 0.317 . . . . 71.43 110.89 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 47.8 t-80 -84.26 -38.99 19.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 64.31 110.813 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -172.53 -50.78 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.757 -0.735 . . . . 64.45 112.47 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -130.28 152.01 50.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.959 0.409 . . . . 72.03 110.878 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -170.69 145.24 8.87 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.773 -0.727 . . . . 53.14 112.533 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 57.5 m -80.8 125.82 30.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.83 0.347 . . . . 72.12 110.892 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 62.43 110.853 -179.969 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . 0.682 ' HB2' ' HB3' ' A' ' 4' ' ' ALA . 11.9 p . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.854 0.359 . . . . 74.02 110.894 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . 0.517 ' O ' HG12 ' A' ' 5' ' ' VAL . . . -68.03 -52.81 31.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 73.42 111.132 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -84.36 -34.24 23.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 74.5 110.846 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.682 ' HB3' ' HB2' ' A' ' 1' ' ' CYS . . . -50.52 -31.97 17.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 63.1 111.11 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.517 HG12 ' O ' ' A' ' 2' ' ' ALA . 10.6 p -49.88 -32.13 7.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 74.11 111.166 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -51.97 -61.51 2.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 64.05 110.947 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 43.1 p -72.38 -44.21 62.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.13 -0.486 . . . . 63.15 111.188 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 78.4 m -51.92 -35.97 47.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 70.53 110.839 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.4 mmt180 -51.88 -35.85 46.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 60.13 110.885 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.53 -52.97 61.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 62.35 111.082 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -178.59 63.29 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.726 -0.75 . . . . 72.31 112.486 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -160.73 153.94 21.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.868 0.366 . . . . 75.11 110.894 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.67 155.3 27.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 61.41 111.115 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.7 t -79.51 135.03 36.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 61.31 110.855 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 58.6 m -130.69 163.45 27.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 52.12 110.867 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 52.6 ttp85 -82.21 82.59 7.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 72.43 110.879 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -61.07 -178.51 2.4 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.717 -0.754 . . . . 65.12 112.473 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 22.0 mt -58.82 -53.82 54.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.89 0.376 . . . . 72.22 110.972 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 10.7 t-160 -60.0 -54.59 44.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 71.21 110.842 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 176.85 -49.96 0.11 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.74 -0.743 . . . . 72.21 112.454 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 33.7 m-85 -129.26 146.91 51.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.96 0.409 . . . . 65.25 110.909 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 168.1 130.99 1.23 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.698 -0.763 . . . . 53.34 112.461 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 2.4 m -67.44 144.91 55.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.946 0.403 . . . . 53.34 110.845 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 19.9 m . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 74.2 110.873 -179.989 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . 0.57 ' HB2' ' HB3' ' A' ' 4' ' ' ALA . 9.2 p . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.844 0.354 . . . . 71.21 110.87 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . 0.518 ' O ' HG12 ' A' ' 5' ' ' VAL . . . -59.15 -52.76 64.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 55.43 111.117 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -84.42 -34.32 23.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.431 . . . . 73.41 110.856 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.57 ' HB3' ' HB2' ' A' ' 1' ' ' CYS . . . -50.61 -31.79 16.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 71.4 111.096 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.518 HG12 ' O ' ' A' ' 2' ' ' ALA . 10.5 p -50.02 -31.92 7.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 51.11 111.095 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -51.69 -62.69 1.47 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 73.15 110.936 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 68.6 p -77.75 -40.41 41.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 72.43 111.166 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 68.7 m -51.95 -35.19 45.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 72.25 110.895 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.5 mmp_? -51.45 -34.48 35.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 71.15 110.823 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.4 -35.38 65.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 65.52 111.072 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 158.04 70.42 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.757 -0.735 . . . . 72.14 112.527 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -145.02 174.92 10.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.889 0.376 . . . . 63.43 110.88 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 38.0 p -134.31 122.89 23.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 74.15 111.133 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 10.2 t -65.14 114.83 4.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 42.13 110.899 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 59.2 m -116.39 172.43 7.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 55.43 110.889 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 71.6 mtt180 -106.71 88.07 2.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 70.31 110.892 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -73.97 -166.17 13.15 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.72 -0.753 . . . . 61.04 112.515 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 29.3 mt -62.75 -39.35 93.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.838 0.351 . . . . 74.24 110.962 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -68.93 -42.16 77.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 73.14 110.854 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 145.95 -50.7 0.61 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.692 -0.766 . . . . 40.33 112.487 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 49.3 m-85 -129.58 135.92 49.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.923 0.392 . . . . 73.54 110.911 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 173.91 127.93 1.03 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.753 -0.737 . . . . 74.13 112.499 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.9 m -63.52 140.37 58.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.861 0.362 . . . . 72.4 110.904 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 10.0 m . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 34.34 110.849 -179.961 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 7.4 t . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.812 0.339 . . . . 64.54 110.862 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . 0.514 ' O ' HG12 ' A' ' 5' ' ' VAL . . . -79.88 -52.71 7.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 54.42 111.114 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -84.3 -34.13 23.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 73.45 110.857 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -50.36 -32.01 16.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 63.13 111.094 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.514 HG12 ' O ' ' A' ' 2' ' ' ALA . 10.8 p -50.18 -32.25 8.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 74.03 111.117 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -51.96 -62.75 1.43 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 72.23 110.928 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.3 m -69.11 -43.07 75.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.116 -0.493 . . . . 60.24 111.145 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -52.44 -36.04 53.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 73.51 110.836 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.1 mmm180 -60.12 -34.77 73.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 63.1 110.863 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.41 -52.98 61.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 71.25 111.079 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 177.49 66.73 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.723 -0.751 . . . . 63.13 112.491 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -160.77 169.22 23.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.838 0.351 . . . . 73.45 110.944 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.2 p -120.44 125.37 47.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 74.11 111.126 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 44.7 t -67.17 127.75 33.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 73.35 110.921 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.8 m -126.16 170.36 11.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 73.34 110.906 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -94.95 93.03 7.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 73.45 110.891 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -65.04 164.96 35.29 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.795 -0.717 . . . . 70.53 112.45 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -52.07 -33.5 39.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.83 0.348 . . . . 75.43 110.935 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 59.0 t-80 -77.0 -38.98 51.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 73.54 110.856 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 158.68 -50.82 0.4 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.731 -0.747 . . . . 33.5 112.461 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -130.27 144.31 51.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.928 0.394 . . . . 73.44 110.944 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 176.38 125.69 0.91 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.754 -0.736 . . . . 53.44 112.505 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 18.5 m -77.38 144.7 37.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.875 0.369 . . . . 72.44 110.849 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 87.8 m . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 70.01 110.875 -179.981 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . 0.491 ' O ' HG23 ' A' ' 5' ' ' VAL . 27.0 p . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.833 0.349 . . . . 54.5 110.871 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.95 -52.75 7.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 60.35 111.112 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -58.31 -37.99 76.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 70.45 110.825 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.417 ' HB1' ' SG ' ' A' ' 8' ' ' CYS . . . -60.98 -31.88 71.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 24.32 111.126 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 1' ' ' CYS . 97.5 t -49.6 -31.51 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 74.24 111.128 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -49.67 -62.74 1.39 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 72.31 110.932 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.2 p -82.91 -43.33 16.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.097 -0.501 . . . . 71.43 111.157 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.417 ' SG ' ' HB1' ' A' ' 4' ' ' ALA . 88.4 m -51.55 -30.57 21.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 74.05 110.905 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.6 mmt180 -50.89 -31.83 18.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 72.12 110.903 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.29 -39.92 70.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 74.14 111.089 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 172.27 66.39 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.766 -0.73 . . . . 53.14 112.517 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -157.36 156.26 31.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.85 0.357 . . . . 73.33 110.925 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.94 157.94 23.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 54.13 111.176 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 41.9 t -73.54 122.99 23.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 73.33 110.857 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.4 m -139.2 177.09 8.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 60.43 110.87 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.2 ptt180 -144.23 116.51 8.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 64.52 110.885 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -81.67 -136.25 2.09 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.771 -0.728 . . . . 43.2 112.484 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.433 HD12 ' N ' ' A' ' 19' ' ' HIS . 3.9 pp -87.37 -35.76 18.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.845 0.355 . . . . 72.15 110.898 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.433 ' N ' HD12 ' A' ' 18' ' ' LEU . 9.4 m-70 -64.01 -57.62 9.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 74.0 110.844 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 178.3 -46.94 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.725 -0.75 . . . . 54.45 112.493 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -130.67 -177.12 4.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.905 0.383 . . . . 74.13 110.921 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 163.66 143.26 3.64 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.726 -0.749 . . . . 72.41 112.475 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -103.21 125.24 49.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.907 0.384 . . . . 73.44 110.849 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 77.4 m . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 64.33 110.862 -179.989 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . 0.669 ' HB2' ' HB3' ' A' ' 4' ' ' ALA . 26.8 p . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.83 0.348 . . . . 53.33 110.84 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -58.67 -52.86 63.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 61.31 111.11 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -63.1 -39.02 93.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 74.21 110.881 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.669 ' HB3' ' HB2' ' A' ' 1' ' ' CYS . . . -59.29 -31.3 69.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 53.33 111.096 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 1' ' ' CYS . 80.0 t -49.93 -35.7 11.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 62.3 111.137 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -51.86 -54.01 33.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 71.53 110.952 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.9 p -74.81 -44.32 49.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 75.44 111.188 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 75.9 m -51.91 -35.89 47.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 74.43 110.885 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -51.83 -35.55 44.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 70.21 110.892 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.47 -48.35 74.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 73.14 111.12 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 172.46 60.64 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.683 -0.77 . . . . 70.53 112.444 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -160.71 156.98 26.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.893 0.378 . . . . 71.24 110.931 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.8 p -119.68 151.0 39.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 71.2 111.154 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.1 t -79.24 131.57 36.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 64.42 110.859 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 31.0 p -146.02 176.31 9.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 71.13 110.851 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 49.3 mtt180 -82.42 93.14 7.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 52.43 110.923 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -60.77 -167.75 0.39 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.769 -0.729 . . . . 74.22 112.482 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.2 mt -62.85 -62.65 1.58 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.856 0.36 . . . . 74.43 110.946 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 38.3 m-70 -55.45 -35.68 65.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 75.15 110.866 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 167.08 -51.43 0.24 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.751 -0.738 . . . . 25.54 112.523 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -131.6 168.05 18.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.915 0.388 . . . . 74.05 110.889 -179.795 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 146.27 144.0 4.0 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.694 -0.765 . . . . 72.24 112.455 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.61 133.56 51.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.88 0.371 . . . . 73.2 110.848 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 2.8 m . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.467 . . . . 74.13 110.866 179.967 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . 0.54 ' HB2' ' HB3' ' A' ' 4' ' ' ALA . 22.2 p . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.867 0.365 . . . . 64.13 110.85 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -62.97 -52.81 61.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 75.43 111.13 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -60.01 -42.1 93.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 54.44 110.882 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.54 ' HB3' ' HB2' ' A' ' 1' ' ' CYS . . . -51.5 -31.89 25.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 74.4 111.128 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 66.1 t -50.28 -35.47 12.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 60.33 111.156 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -51.86 -62.72 1.45 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 70.14 110.913 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.6 p -71.33 -38.32 71.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 74.43 111.147 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.3 m -55.12 -35.82 65.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 73.44 110.922 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -51.84 -35.56 44.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 74.43 110.857 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.53 -49.32 72.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 74.32 111.136 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 163.32 58.13 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.671 -0.776 . . . . 71.32 112.446 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -146.02 171.96 14.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.865 0.364 . . . . 63.11 110.888 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -121.14 155.38 34.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 74.21 111.156 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 44.1 t -78.43 124.92 28.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.266 -0.424 . . . . 64.14 110.905 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.2 p -146.55 176.29 9.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 74.21 110.883 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.7 ttm180 -85.38 106.66 16.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 75.04 110.861 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -81.68 -149.01 6.85 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.712 -0.756 . . . . 72.24 112.476 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.3 mt -71.4 -62.56 1.36 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.847 0.356 . . . . 74.3 110.915 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 11.2 t60 -60.77 -57.41 12.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 73.13 110.854 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -162.64 -51.4 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.756 -0.735 . . . . 71.34 112.495 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -131.42 179.56 5.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.945 0.402 . . . . 64.31 110.901 -179.781 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 157.39 167.57 18.63 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.791 -0.719 . . . . 52.31 112.525 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 86.9 m -91.12 129.07 37.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.891 0.376 . . . . 71.31 110.867 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 14.0 m . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 75.1 110.904 179.988 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . 0.682 ' HB2' ' HB3' ' A' ' 4' ' ' ALA . 10.8 p . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.852 0.358 . . . . 62.23 110.862 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -72.19 -52.83 14.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 41.14 111.113 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -70.24 -36.55 74.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 75.15 110.838 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.682 ' HB3' ' HB2' ' A' ' 1' ' ' CYS . . . -51.44 -31.95 24.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 52.3 111.078 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 85.5 t -50.3 -35.44 12.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 64.53 111.088 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -51.9 -62.69 1.47 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 75.1 110.889 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -71.38 -38.6 71.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 70.32 111.183 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.7 m -54.65 -35.81 63.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 72.13 110.903 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 19.4 mmt180 -51.87 -35.39 44.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 72.51 110.905 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.52 -52.83 62.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 74.23 111.129 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 167.67 58.97 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.746 -0.74 . . . . 62.43 112.473 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -146.07 168.34 21.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.87 0.367 . . . . 74.11 110.908 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.1 155.33 28.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 64.43 111.151 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 46.0 t -79.97 107.7 12.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 74.24 110.915 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.1 m -122.74 168.1 12.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 73.0 110.936 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 67.0 mtm-85 -87.29 97.96 11.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 74.44 110.889 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -70.83 -138.41 0.16 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.717 -0.754 . . . . 33.1 112.491 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 54.7 mt -87.18 -62.59 1.47 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.831 0.348 . . . . 53.15 110.932 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 30.1 p-80 -59.02 -37.93 78.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 75.3 110.852 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 175.75 -51.38 0.12 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.707 -0.758 . . . . 51.52 112.495 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -131.33 179.8 5.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.95 0.405 . . . . 72.2 110.921 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 159.84 136.11 1.97 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.711 -0.756 . . . . 74.34 112.435 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 92.3 m -64.19 130.78 45.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.872 0.368 . . . . 72.25 110.891 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.4 m . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 60.42 110.906 -179.997 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 4.6 t . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.789 0.328 . . . . 74.14 110.861 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . 0.516 ' O ' HG12 ' A' ' 5' ' ' VAL . . . -80.1 -52.83 7.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 62.31 111.089 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -84.41 -34.14 23.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.441 . . . . 64.42 110.865 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -50.56 -31.68 16.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 74.23 111.066 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.516 HG12 ' O ' ' A' ' 2' ' ' ALA . 11.0 p -49.82 -32.44 7.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 72.02 111.115 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -64.0 -54.3 36.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 73.54 110.976 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.2 m -67.97 -37.27 81.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.066 -0.515 . . . . 71.45 111.141 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 82.0 m -68.68 -34.15 75.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 63.31 110.902 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.2 mtp180 -51.32 -30.58 18.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 73.23 110.893 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.82 -52.63 62.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 53.14 111.097 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 173.85 52.1 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.719 -0.753 . . . . 74.42 112.452 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 18.0 mp0 -142.1 174.95 10.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.877 0.37 . . . . 72.13 110.918 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 69.3 p -125.19 140.33 52.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 71.43 111.194 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 49.3 t -83.04 133.2 35.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 75.14 110.902 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.6 m -138.54 176.54 8.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 63.04 110.882 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.39 104.92 16.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 63.33 110.844 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -73.69 -143.7 0.71 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.745 -0.741 . . . . 64.41 112.508 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.481 HD12 ' N ' ' A' ' 19' ' ' HIS . 2.8 pp -86.8 -45.97 10.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.786 0.327 . . . . 64.25 110.898 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.481 ' N ' HD12 ' A' ' 18' ' ' LEU . 35.0 p-80 -74.68 -35.6 62.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 62.24 110.891 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 173.18 -51.32 0.16 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.736 -0.745 . . . . 71.43 112.48 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -131.03 178.9 6.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.911 0.386 . . . . 60.1 110.93 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 150.03 128.3 1.58 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.706 -0.759 . . . . 71.2 112.494 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.61 126.76 26.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.896 0.379 . . . . 40.04 110.89 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 74.3 110.901 -179.993 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . 0.675 ' HB2' ' HB3' ' A' ' 4' ' ' ALA . 7.4 p . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.89 0.376 . . . . 74.43 110.88 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . 0.507 ' O ' HG22 ' A' ' 5' ' ' VAL . . . -79.98 -37.29 34.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 20.3 111.096 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -84.45 -34.55 23.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.236 -0.438 . . . . 73.11 110.861 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.675 ' HB3' ' HB2' ' A' ' 1' ' ' CYS . . . -50.72 -31.81 17.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 72.15 111.078 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.507 HG22 ' O ' ' A' ' 2' ' ' ALA . 17.8 m -50.03 -31.79 7.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 73.12 111.095 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -51.7 -62.71 1.46 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 74.55 110.938 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.7 t -76.22 -34.3 59.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 70.45 111.168 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.2 m -58.16 -36.1 72.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 70.34 110.871 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.76 -35.24 68.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 72.04 110.867 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.5 -38.1 68.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 71.43 111.047 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 159.44 63.69 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.684 -0.77 . . . . 65.33 112.456 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -157.37 169.31 25.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.883 0.373 . . . . 73.34 110.914 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.71 155.55 27.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.192 -0.458 . . . . 72.14 111.107 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -81.52 111.9 18.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 73.01 110.877 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.2 m -109.69 175.96 5.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 60.12 110.876 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 73.7 mtm180 -92.56 83.14 4.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 65.01 110.915 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.67 177.3 0.36 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.704 -0.76 . . . . 44.33 112.439 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.5 mp -51.92 -62.58 1.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.793 0.33 . . . . 74.13 110.905 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -52.34 -35.26 50.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 64.13 110.853 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 163.2 -51.38 0.3 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.74 -0.743 . . . . 44.23 112.448 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -131.44 166.49 21.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.909 0.385 . . . . 74.13 110.936 -179.762 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 150.93 150.38 5.29 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.784 -0.722 . . . . 75.34 112.503 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.607 ' SG ' ' HB1' ' A' ' 4' ' ' ALA . 92.8 m -51.8 136.13 28.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.906 0.384 . . . . 64.0 110.873 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 58.8 m . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 73.12 110.908 -179.976 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.617 ' O ' HG23 ' A' ' 5' ' ' VAL . 18.8 p . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.878 0.371 . . . . 51.44 110.881 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -62.56 -44.64 95.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 72.4 111.089 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 -65.24 -48.18 74.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 73.04 110.903 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.615 ' HB1' ' SG ' ' A' ' 23' ' ' CYS . . . -51.38 -31.97 24.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 34.45 111.109 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 1' ' ' CYS . 68.0 t -50.23 -35.31 11.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 72.51 111.093 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -51.63 -62.76 1.43 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.18 -0.463 . . . . 74.21 110.91 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.89 -40.97 68.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.098 -0.501 . . . . 73.54 111.135 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.3 m -53.21 -35.87 60.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 43.24 110.87 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -51.79 -35.18 42.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 74.03 110.866 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.44 -46.19 76.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 70.53 111.136 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 159.59 60.65 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.754 -0.736 . . . . 71.3 112.481 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -146.08 174.93 10.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.85 0.357 . . . . 64.33 110.927 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.67 155.3 27.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 52.54 111.101 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -91.87 107.85 19.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 74.33 110.924 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.5 m -112.79 174.8 5.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 73.24 110.938 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 53.3 mtm180 -95.39 88.82 5.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 71.1 110.865 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -60.0 -172.01 0.62 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.75 -0.738 . . . . 23.11 112.496 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.432 HD12 ' N ' ' A' ' 19' ' ' HIS . 3.9 pp -64.61 -38.43 90.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.81 0.338 . . . . 63.42 110.911 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.432 ' N ' HD12 ' A' ' 18' ' ' LEU . 9.1 t-80 -77.08 -46.4 23.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 73.22 110.837 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 167.16 -47.01 0.25 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.703 -0.761 . . . . 61.23 112.475 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -130.31 136.01 48.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.898 0.38 . . . . 64.24 110.925 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -170.39 136.1 3.82 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.748 -0.739 . . . . 51.42 112.475 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.615 ' SG ' ' HB1' ' A' ' 4' ' ' ALA . 53.9 m -71.02 142.44 50.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.881 0.372 . . . . 71.2 110.857 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 3.4 m . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 71.14 110.885 179.962 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.636 ' HB2' ' HB3' ' A' ' 4' ' ' ALA . 5.9 p . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.844 0.355 . . . . 63.4 110.902 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -68.88 -52.81 25.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 75.55 111.134 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -61.24 -43.34 99.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 75.05 110.889 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.636 ' HB3' ' HB2' ' A' ' 1' ' ' CYS . . . -51.48 -31.93 25.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 73.53 111.042 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 1' ' ' CYS . 93.0 t -50.49 -37.01 14.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.271 -0.422 . . . . 74.22 111.101 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -51.91 -62.7 1.47 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 74.31 110.925 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 68.4 p -69.7 -35.54 75.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.098 -0.501 . . . . 53.34 111.181 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.2 m -58.47 -36.32 73.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 62.53 110.849 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -51.92 -35.93 47.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 75.04 110.875 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.49 -37.33 67.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 73.32 111.099 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 147.5 59.41 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.714 -0.755 . . . . 54.12 112.51 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -146.03 174.92 10.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.839 0.352 . . . . 73.33 110.913 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.69 155.39 32.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 75.33 111.145 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 53.5 t -75.76 119.74 20.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 72.14 110.895 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 28.0 p -140.57 170.93 14.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 75.12 110.896 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 59.4 mtm180 -90.8 98.95 12.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.457 . . . . 75.34 110.902 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.27 170.66 37.77 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.708 -0.758 . . . . 71.14 112.505 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -51.86 -33.92 38.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.857 0.36 . . . . 73.55 110.903 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 23.2 m-70 -80.56 -45.05 18.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 75.32 110.872 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 163.88 -50.64 0.3 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.711 -0.757 . . . . 54.14 112.493 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -126.91 130.31 49.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.977 0.418 . . . . 53.4 110.917 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -170.61 168.51 41.57 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.706 -0.759 . . . . 73.01 112.478 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 68.8 m -102.81 145.43 29.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.893 0.377 . . . . 73.14 110.863 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 65.6 m . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 72.32 110.916 179.966 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.725 ' HB2' ' HB3' ' A' ' 4' ' ' ALA . 26.7 p . . . . . 0 N--CA 1.458 -0.071 0 CA-C-O 120.846 0.355 . . . . 74.21 110.871 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -52.17 -52.83 49.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 63.14 111.11 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -66.89 -45.3 78.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.226 -0.443 . . . . 71.33 110.884 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.725 ' HB3' ' HB2' ' A' ' 1' ' ' CYS . . . -51.5 -31.94 25.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 53.55 111.122 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.707 HG23 ' O ' ' A' ' 1' ' ' CYS . 95.4 t -50.0 -34.77 10.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 71.32 111.166 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -51.86 -62.71 1.46 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.137 -0.483 . . . . 71.33 110.943 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.6 m -73.24 -44.55 59.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 63.42 111.135 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 94.4 m -51.67 -35.15 41.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 70.22 110.892 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.2 mtt-85 -51.62 -34.88 39.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 75.53 110.91 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.47 -52.88 62.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 74.04 111.152 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -176.41 64.68 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.694 -0.765 . . . . 65.01 112.428 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -160.78 162.65 32.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.889 0.376 . . . . 73.05 110.909 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -125.13 155.17 40.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 64.22 111.149 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.4 t -80.47 134.94 36.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 72.23 110.896 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.7 m -137.15 176.23 8.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 54.3 110.854 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.9 mpp_? -79.63 105.07 10.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 75.45 110.865 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -79.2 172.2 55.13 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.722 -0.752 . . . . 45.41 112.479 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.8 mp -55.17 -42.0 72.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.885 0.374 . . . . 73.44 110.963 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 9.4 t-160 -78.04 -38.58 44.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.156 -0.475 . . . . 74.01 110.859 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 167.91 -48.83 0.24 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.717 -0.754 . . . . 72.11 112.464 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -129.71 153.11 48.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.944 0.402 . . . . 72.23 110.927 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 159.78 132.88 1.41 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.718 -0.753 . . . . 71.44 112.485 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 2.6 m -60.41 143.8 52.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.852 0.358 . . . . 73.1 110.865 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 12.2 m . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 75.32 110.846 180.0 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.789 ' HB2' ' HB3' ' A' ' 4' ' ' ALA . 5.6 p . . . . . 0 N--CA 1.457 -0.078 0 CA-C-O 120.906 0.384 . . . . 71.44 110.854 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.44 -52.82 7.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.484 . . . . 42.2 111.08 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -74.97 -37.43 61.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 62.53 110.905 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.789 ' HB3' ' HB2' ' A' ' 1' ' ' CYS . . . -51.38 -31.79 23.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 71.52 111.153 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 1' ' ' CYS . 93.8 t -50.17 -35.5 11.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 43.13 111.099 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -51.72 -60.85 2.69 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.214 -0.448 . . . . 72.33 110.917 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 78.9 p -72.06 -35.57 69.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.117 -0.492 . . . . 70.3 111.134 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -51.86 -35.09 43.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 61.0 110.899 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.8 mmm180 -51.34 -34.89 35.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 74.31 110.91 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.46 -50.8 68.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 51.12 111.085 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 160.02 61.18 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.759 -0.734 . . . . 71.41 112.482 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -136.91 174.92 10.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.852 0.358 . . . . 72.01 110.932 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 64.8 p -129.03 130.2 46.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 53.3 111.127 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 17.7 t -55.14 117.9 3.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.453 . . . . 60.13 110.884 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 80.2 m -122.16 169.17 11.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 75.31 110.839 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 33.7 mtp85 -102.59 73.31 1.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 61.13 110.874 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -58.99 -172.75 0.46 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.736 -0.745 . . . . 51.44 112.488 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 13.6 mt -58.37 -53.82 53.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.833 0.349 . . . . 72.42 110.893 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 20.0 t60 -51.99 -47.76 64.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 73.03 110.887 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 153.19 -50.76 0.49 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.75 -0.738 . . . . 33.21 112.536 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -130.33 137.38 49.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.897 0.38 . . . . 73.2 110.911 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 174.88 131.67 1.46 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.752 -0.737 . . . . 53.45 112.479 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 14.7 m -73.86 125.18 27.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.897 0.38 . . . . 33.41 110.892 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 20.3 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 64.41 110.878 -179.997 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.713 ' HB2' ' HB3' ' A' ' 4' ' ' ALA . 24.4 p . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.813 0.339 . . . . 74.25 110.865 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -57.18 -52.76 64.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 51.22 111.091 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -68.9 -36.14 77.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 64.44 110.835 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.713 ' HB3' ' HB2' ' A' ' 1' ' ' CYS . . . -59.49 -31.71 69.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.424 . . . . 60.13 111.079 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.707 HG23 ' O ' ' A' ' 1' ' ' CYS . 97.9 t -50.24 -35.09 11.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 73.22 111.116 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -51.72 -62.73 1.45 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 73.15 110.903 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 23.4 p -72.84 -43.89 62.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 74.21 111.124 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 88.8 m -51.79 -35.38 43.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 73.33 110.889 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.3 mtm180 -51.48 -33.3 30.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 72.4 110.838 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.16 -35.36 64.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 60.02 111.105 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 160.59 68.98 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.782 -0.723 . . . . 53.53 112.525 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -149.27 174.88 11.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.893 0.378 . . . . 60.51 110.889 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 47.8 p -129.95 122.79 29.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 65.5 111.182 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -78.37 107.86 11.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 61.3 110.921 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.8 m -104.82 176.31 5.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 73.23 110.902 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.5 92.75 9.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 61.45 110.827 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -72.33 176.31 41.64 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.687 -0.768 . . . . 74.24 112.485 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.0 mt -52.0 -60.87 2.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.833 0.349 . . . . 64.34 110.937 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 57.9 m80 -54.53 -37.09 64.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 74.42 110.875 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 160.35 -50.36 0.37 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.756 -0.735 . . . . 53.51 112.487 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -130.31 158.07 40.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.891 0.377 . . . . 74.11 110.93 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 169.79 130.36 1.2 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.754 -0.736 . . . . 71.11 112.475 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.3 m -72.94 125.37 27.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.889 0.376 . . . . 43.2 110.885 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 36.4 m . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 72.53 110.896 179.978 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.804 ' HB2' ' HB3' ' A' ' 4' ' ' ALA . 5.4 p . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.876 0.37 . . . . 63.11 110.865 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.515 ' O ' HG12 ' A' ' 5' ' ' VAL . . . -79.02 -51.2 9.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 62.53 111.066 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -84.43 -34.13 23.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.288 -0.415 . . . . 72.31 110.847 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.804 ' HB3' ' HB2' ' A' ' 1' ' ' CYS . . . -50.54 -31.89 16.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 62.55 111.143 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.515 HG12 ' O ' ' A' ' 2' ' ' ALA . 10.7 p -50.1 -32.2 8.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 53.2 111.126 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -51.99 -62.68 1.48 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 63.33 110.955 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.0 m -71.52 -37.83 71.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 73.14 111.122 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.3 m -55.4 -36.0 65.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 75.14 110.88 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.3 mtt85 -51.99 -35.89 48.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 72.51 110.878 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.52 -36.23 66.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 22.22 111.104 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 146.56 67.68 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.77 -0.729 . . . . 65.01 112.508 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -143.59 174.91 10.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.882 0.372 . . . . 75.1 110.916 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.7 p -115.67 128.23 55.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 60.24 111.111 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -68.93 110.13 4.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.435 . . . . 62.13 110.848 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 25.8 p -127.82 176.24 7.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 73.4 110.899 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.8 mmm180 -71.24 116.67 11.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 63.25 110.84 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -81.57 -178.07 52.17 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.741 -0.742 . . . . 52.21 112.506 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.8 mt -64.33 -47.67 78.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.765 0.317 . . . . 71.43 110.89 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 47.8 t-80 -84.26 -38.99 19.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 64.31 110.813 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -172.53 -50.78 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.757 -0.735 . . . . 64.45 112.47 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -130.28 152.01 50.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.959 0.409 . . . . 72.03 110.878 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -170.69 145.24 8.87 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.773 -0.727 . . . . 53.14 112.533 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 57.5 m -80.8 125.82 30.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.83 0.347 . . . . 72.12 110.892 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 62.43 110.853 -179.969 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.682 ' HB2' ' HB3' ' A' ' 4' ' ' ALA . 11.9 p . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.854 0.359 . . . . 74.02 110.894 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.517 ' O ' HG12 ' A' ' 5' ' ' VAL . . . -68.03 -52.81 31.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 73.42 111.132 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -84.36 -34.24 23.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 74.5 110.846 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.682 ' HB3' ' HB2' ' A' ' 1' ' ' CYS . . . -50.52 -31.97 17.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 63.1 111.11 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.517 HG12 ' O ' ' A' ' 2' ' ' ALA . 10.6 p -49.88 -32.13 7.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 74.11 111.166 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -51.97 -61.51 2.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 64.05 110.947 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 43.1 p -72.38 -44.21 62.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.13 -0.486 . . . . 63.15 111.188 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 78.4 m -51.92 -35.97 47.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 70.53 110.839 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.4 mmt180 -51.88 -35.85 46.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 60.13 110.885 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.53 -52.97 61.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 62.35 111.082 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -178.59 63.29 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.726 -0.75 . . . . 72.31 112.486 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -160.73 153.94 21.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.868 0.366 . . . . 75.11 110.894 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.67 155.3 27.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 61.41 111.115 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.7 t -79.51 135.03 36.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 61.31 110.855 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 58.6 m -130.69 163.45 27.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 52.12 110.867 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 52.6 ttp85 -82.21 82.59 7.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 72.43 110.879 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -61.07 -178.51 2.4 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.717 -0.754 . . . . 65.12 112.473 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 22.0 mt -58.82 -53.82 54.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.89 0.376 . . . . 72.22 110.972 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 10.7 t-160 -60.0 -54.59 44.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 71.21 110.842 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 176.85 -49.96 0.11 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.74 -0.743 . . . . 72.21 112.454 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 33.7 m-85 -129.26 146.91 51.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.96 0.409 . . . . 65.25 110.909 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 168.1 130.99 1.23 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.698 -0.763 . . . . 53.34 112.461 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 2.4 m -67.44 144.91 55.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.946 0.403 . . . . 53.34 110.845 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 19.9 m . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 74.2 110.873 -179.989 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.57 ' HB2' ' HB3' ' A' ' 4' ' ' ALA . 9.2 p . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.844 0.354 . . . . 71.21 110.87 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.518 ' O ' HG12 ' A' ' 5' ' ' VAL . . . -59.15 -52.76 64.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 55.43 111.117 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -84.42 -34.32 23.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.431 . . . . 73.41 110.856 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.57 ' HB3' ' HB2' ' A' ' 1' ' ' CYS . . . -50.61 -31.79 16.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 71.4 111.096 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.518 HG12 ' O ' ' A' ' 2' ' ' ALA . 10.5 p -50.02 -31.92 7.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 51.11 111.095 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -51.69 -62.69 1.47 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 73.15 110.936 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 68.6 p -77.75 -40.41 41.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 72.43 111.166 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 68.7 m -51.95 -35.19 45.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 72.25 110.895 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.5 mmp_? -51.45 -34.48 35.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 71.15 110.823 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.4 -35.38 65.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 65.52 111.072 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 158.04 70.42 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.757 -0.735 . . . . 72.14 112.527 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -145.02 174.92 10.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.889 0.376 . . . . 63.43 110.88 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 38.0 p -134.31 122.89 23.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 74.15 111.133 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 10.2 t -65.14 114.83 4.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 42.13 110.899 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 59.2 m -116.39 172.43 7.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 55.43 110.889 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 71.6 mtt180 -106.71 88.07 2.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 70.31 110.892 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -73.97 -166.17 13.15 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.72 -0.753 . . . . 61.04 112.515 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 29.3 mt -62.75 -39.35 93.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.838 0.351 . . . . 74.24 110.962 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -68.93 -42.16 77.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 73.14 110.854 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 145.95 -50.7 0.61 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.692 -0.766 . . . . 40.33 112.487 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 49.3 m-85 -129.58 135.92 49.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.923 0.392 . . . . 73.54 110.911 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 173.91 127.93 1.03 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.753 -0.737 . . . . 74.13 112.499 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.9 m -63.52 140.37 58.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.861 0.362 . . . . 72.4 110.904 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 10.0 m . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 34.34 110.849 -179.961 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 7.4 t . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.812 0.339 . . . . 64.54 110.862 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.514 ' O ' HG12 ' A' ' 5' ' ' VAL . . . -79.88 -52.71 7.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 54.42 111.114 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -84.3 -34.13 23.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 73.45 110.857 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -50.36 -32.01 16.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 63.13 111.094 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.514 HG12 ' O ' ' A' ' 2' ' ' ALA . 10.8 p -50.18 -32.25 8.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 74.03 111.117 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -51.96 -62.75 1.43 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 72.23 110.928 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.3 m -69.11 -43.07 75.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.116 -0.493 . . . . 60.24 111.145 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -52.44 -36.04 53.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 73.51 110.836 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.1 mmm180 -60.12 -34.77 73.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 63.1 110.863 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.41 -52.98 61.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 71.25 111.079 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 177.49 66.73 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.723 -0.751 . . . . 63.13 112.491 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -160.77 169.22 23.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.838 0.351 . . . . 73.45 110.944 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.2 p -120.44 125.37 47.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 74.11 111.126 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 44.7 t -67.17 127.75 33.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 73.35 110.921 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.8 m -126.16 170.36 11.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 73.34 110.906 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -94.95 93.03 7.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 73.45 110.891 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -65.04 164.96 35.29 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.795 -0.717 . . . . 70.53 112.45 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -52.07 -33.5 39.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.83 0.348 . . . . 75.43 110.935 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 59.0 t-80 -77.0 -38.98 51.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 73.54 110.856 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 158.68 -50.82 0.4 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.731 -0.747 . . . . 33.5 112.461 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -130.27 144.31 51.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.928 0.394 . . . . 73.44 110.944 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 176.38 125.69 0.91 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.754 -0.736 . . . . 53.44 112.505 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 18.5 m -77.38 144.7 37.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.875 0.369 . . . . 72.44 110.849 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 87.8 m . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 70.01 110.875 -179.981 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.491 ' O ' HG23 ' A' ' 5' ' ' VAL . 27.0 p . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.833 0.349 . . . . 54.5 110.871 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.95 -52.75 7.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 60.35 111.112 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -58.31 -37.99 76.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 70.45 110.825 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.417 ' HB1' ' SG ' ' A' ' 8' ' ' CYS . . . -60.98 -31.88 71.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 24.32 111.126 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 1' ' ' CYS . 97.5 t -49.6 -31.51 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 74.24 111.128 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -49.67 -62.74 1.39 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 72.31 110.932 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.2 p -82.91 -43.33 16.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.097 -0.501 . . . . 71.43 111.157 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.417 ' SG ' ' HB1' ' A' ' 4' ' ' ALA . 88.4 m -51.55 -30.57 21.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 74.05 110.905 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.6 mmt180 -50.89 -31.83 18.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 72.12 110.903 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.29 -39.92 70.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 74.14 111.089 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 172.27 66.39 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.766 -0.73 . . . . 53.14 112.517 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -157.36 156.26 31.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.85 0.357 . . . . 73.33 110.925 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.94 157.94 23.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 54.13 111.176 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 41.9 t -73.54 122.99 23.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 73.33 110.857 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.4 m -139.2 177.09 8.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 60.43 110.87 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.2 ptt180 -144.23 116.51 8.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 64.52 110.885 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -81.67 -136.25 2.09 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.771 -0.728 . . . . 43.2 112.484 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.433 HD12 ' N ' ' A' ' 19' ' ' HIS . 3.9 pp -87.37 -35.76 18.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.845 0.355 . . . . 72.15 110.898 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.433 ' N ' HD12 ' A' ' 18' ' ' LEU . 9.4 m-70 -64.01 -57.62 9.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 74.0 110.844 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 178.3 -46.94 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.725 -0.75 . . . . 54.45 112.493 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -130.67 -177.12 4.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.905 0.383 . . . . 74.13 110.921 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 163.66 143.26 3.64 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.726 -0.749 . . . . 72.41 112.475 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -103.21 125.24 49.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.907 0.384 . . . . 73.44 110.849 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 77.4 m . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 64.33 110.862 -179.989 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.669 ' HB2' ' HB3' ' A' ' 4' ' ' ALA . 26.8 p . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.83 0.348 . . . . 53.33 110.84 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -58.67 -52.86 63.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 61.31 111.11 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -63.1 -39.02 93.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 74.21 110.881 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.669 ' HB3' ' HB2' ' A' ' 1' ' ' CYS . . . -59.29 -31.3 69.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 53.33 111.096 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 1' ' ' CYS . 80.0 t -49.93 -35.7 11.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 62.3 111.137 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -51.86 -54.01 33.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 71.53 110.952 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.9 p -74.81 -44.32 49.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 75.44 111.188 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 75.9 m -51.91 -35.89 47.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 74.43 110.885 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -51.83 -35.55 44.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 70.21 110.892 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.47 -48.35 74.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 73.14 111.12 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 172.46 60.64 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.683 -0.77 . . . . 70.53 112.444 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -160.71 156.98 26.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.893 0.378 . . . . 71.24 110.931 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.8 p -119.68 151.0 39.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 71.2 111.154 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.1 t -79.24 131.57 36.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 64.42 110.859 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 31.0 p -146.02 176.31 9.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 71.13 110.851 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 49.3 mtt180 -82.42 93.14 7.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 52.43 110.923 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -60.77 -167.75 0.39 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.769 -0.729 . . . . 74.22 112.482 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.2 mt -62.85 -62.65 1.58 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.856 0.36 . . . . 74.43 110.946 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 38.3 m-70 -55.45 -35.68 65.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 75.15 110.866 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 167.08 -51.43 0.24 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.751 -0.738 . . . . 25.54 112.523 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -131.6 168.05 18.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.915 0.388 . . . . 74.05 110.889 -179.795 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 146.27 144.0 4.0 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.694 -0.765 . . . . 72.24 112.455 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.61 133.56 51.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.88 0.371 . . . . 73.2 110.848 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 2.8 m . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.467 . . . . 74.13 110.866 179.967 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.54 ' HB2' ' HB3' ' A' ' 4' ' ' ALA . 22.2 p . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.867 0.365 . . . . 64.13 110.85 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -62.97 -52.81 61.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 75.43 111.13 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -60.01 -42.1 93.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 54.44 110.882 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.54 ' HB3' ' HB2' ' A' ' 1' ' ' CYS . . . -51.5 -31.89 25.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 74.4 111.128 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 66.1 t -50.28 -35.47 12.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 60.33 111.156 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -51.86 -62.72 1.45 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 70.14 110.913 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.6 p -71.33 -38.32 71.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 74.43 111.147 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.3 m -55.12 -35.82 65.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 73.44 110.922 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -51.84 -35.56 44.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 74.43 110.857 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.53 -49.32 72.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 74.32 111.136 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 163.32 58.13 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.671 -0.776 . . . . 71.32 112.446 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -146.02 171.96 14.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.865 0.364 . . . . 63.11 110.888 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -121.14 155.38 34.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 74.21 111.156 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 44.1 t -78.43 124.92 28.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.266 -0.424 . . . . 64.14 110.905 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.2 p -146.55 176.29 9.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 74.21 110.883 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.7 ttm180 -85.38 106.66 16.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 75.04 110.861 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -81.68 -149.01 6.85 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.712 -0.756 . . . . 72.24 112.476 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.3 mt -71.4 -62.56 1.36 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.847 0.356 . . . . 74.3 110.915 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 11.2 t60 -60.77 -57.41 12.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 73.13 110.854 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -162.64 -51.4 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.756 -0.735 . . . . 71.34 112.495 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -131.42 179.56 5.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.945 0.402 . . . . 64.31 110.901 -179.781 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 157.39 167.57 18.63 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.791 -0.719 . . . . 52.31 112.525 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 86.9 m -91.12 129.07 37.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.891 0.376 . . . . 71.31 110.867 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 14.0 m . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 75.1 110.904 179.988 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.682 ' HB2' ' HB3' ' A' ' 4' ' ' ALA . 10.8 p . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.852 0.358 . . . . 62.23 110.862 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -72.19 -52.83 14.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 41.14 111.113 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -70.24 -36.55 74.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 75.15 110.838 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.682 ' HB3' ' HB2' ' A' ' 1' ' ' CYS . . . -51.44 -31.95 24.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 52.3 111.078 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 85.5 t -50.3 -35.44 12.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 64.53 111.088 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -51.9 -62.69 1.47 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 75.1 110.889 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -71.38 -38.6 71.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 70.32 111.183 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.7 m -54.65 -35.81 63.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 72.13 110.903 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 19.4 mmt180 -51.87 -35.39 44.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 72.51 110.905 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.52 -52.83 62.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 74.23 111.129 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 167.67 58.97 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.746 -0.74 . . . . 62.43 112.473 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -146.07 168.34 21.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.87 0.367 . . . . 74.11 110.908 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.1 155.33 28.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 64.43 111.151 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 46.0 t -79.97 107.7 12.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 74.24 110.915 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.1 m -122.74 168.1 12.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 73.0 110.936 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 67.0 mtm-85 -87.29 97.96 11.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 74.44 110.889 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -70.83 -138.41 0.16 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.717 -0.754 . . . . 33.1 112.491 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 54.7 mt -87.18 -62.59 1.47 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.831 0.348 . . . . 53.15 110.932 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 30.1 p-80 -59.02 -37.93 78.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 75.3 110.852 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 175.75 -51.38 0.12 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.707 -0.758 . . . . 51.52 112.495 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -131.33 179.8 5.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.95 0.405 . . . . 72.2 110.921 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 159.84 136.11 1.97 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.711 -0.756 . . . . 74.34 112.435 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 92.3 m -64.19 130.78 45.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.872 0.368 . . . . 72.25 110.891 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.4 m . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 60.42 110.906 -179.997 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 4.6 t . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.789 0.328 . . . . 74.14 110.861 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.516 ' O ' HG12 ' A' ' 5' ' ' VAL . . . -80.1 -52.83 7.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 62.31 111.089 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -84.41 -34.14 23.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.441 . . . . 64.42 110.865 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -50.56 -31.68 16.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 74.23 111.066 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.516 HG12 ' O ' ' A' ' 2' ' ' ALA . 11.0 p -49.82 -32.44 7.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 72.02 111.115 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -64.0 -54.3 36.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 73.54 110.976 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.2 m -67.97 -37.27 81.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.066 -0.515 . . . . 71.45 111.141 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 82.0 m -68.68 -34.15 75.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 63.31 110.902 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.2 mtp180 -51.32 -30.58 18.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 73.23 110.893 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.82 -52.63 62.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 53.14 111.097 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 173.85 52.1 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.719 -0.753 . . . . 74.42 112.452 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 18.0 mp0 -142.1 174.95 10.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.877 0.37 . . . . 72.13 110.918 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 69.3 p -125.19 140.33 52.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 71.43 111.194 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 49.3 t -83.04 133.2 35.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 75.14 110.902 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.6 m -138.54 176.54 8.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 63.04 110.882 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.39 104.92 16.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 63.33 110.844 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -73.69 -143.7 0.71 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.745 -0.741 . . . . 64.41 112.508 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.481 HD12 ' N ' ' A' ' 19' ' ' HIS . 2.8 pp -86.8 -45.97 10.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.786 0.327 . . . . 64.25 110.898 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.481 ' N ' HD12 ' A' ' 18' ' ' LEU . 35.0 p-80 -74.68 -35.6 62.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 62.24 110.891 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 173.18 -51.32 0.16 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.736 -0.745 . . . . 71.43 112.48 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -131.03 178.9 6.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.911 0.386 . . . . 60.1 110.93 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 150.03 128.3 1.58 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.706 -0.759 . . . . 71.2 112.494 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.61 126.76 26.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.896 0.379 . . . . 40.04 110.89 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 74.3 110.901 -179.993 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.675 ' HB2' ' HB3' ' A' ' 4' ' ' ALA . 7.4 p . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.89 0.376 . . . . 74.43 110.88 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.507 ' O ' HG22 ' A' ' 5' ' ' VAL . . . -79.98 -37.29 34.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 20.3 111.096 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -84.45 -34.55 23.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.236 -0.438 . . . . 73.11 110.861 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.675 ' HB3' ' HB2' ' A' ' 1' ' ' CYS . . . -50.72 -31.81 17.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 72.15 111.078 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.507 HG22 ' O ' ' A' ' 2' ' ' ALA . 17.8 m -50.03 -31.79 7.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 73.12 111.095 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -51.7 -62.71 1.46 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 74.55 110.938 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.7 t -76.22 -34.3 59.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 70.45 111.168 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.2 m -58.16 -36.1 72.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 70.34 110.871 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.76 -35.24 68.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 72.04 110.867 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.5 -38.1 68.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 71.43 111.047 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 159.44 63.69 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.684 -0.77 . . . . 65.33 112.456 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -157.37 169.31 25.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.883 0.373 . . . . 73.34 110.914 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.71 155.55 27.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.192 -0.458 . . . . 72.14 111.107 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -81.52 111.9 18.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 73.01 110.877 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.2 m -109.69 175.96 5.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 60.12 110.876 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 73.7 mtm180 -92.56 83.14 4.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 65.01 110.915 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.67 177.3 0.36 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.704 -0.76 . . . . 44.33 112.439 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.5 mp -51.92 -62.58 1.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.793 0.33 . . . . 74.13 110.905 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -52.34 -35.26 50.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 64.13 110.853 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 163.2 -51.38 0.3 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.74 -0.743 . . . . 44.23 112.448 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -131.44 166.49 21.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.909 0.385 . . . . 74.13 110.936 -179.762 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 150.93 150.38 5.29 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.784 -0.722 . . . . 75.34 112.503 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.607 ' SG ' ' HB1' ' A' ' 4' ' ' ALA . 92.8 m -51.8 136.13 28.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.906 0.384 . . . . 64.0 110.873 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 58.8 m . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 73.12 110.908 -179.976 . . . . . . . . 0 0 . 1 stop_ save_