data_6my3_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 6my3 _Structure_validation_residue.Date_analyzed 2019-11-01 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 ' 2' ' ' CYS . . . . . . . . . . . . . 98.7 m . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.851 0.358 . . . . 61.41 110.872 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 27.2 mtm180 -138.07 131.89 31.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 63.54 110.889 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 49.3 ttt180 -116.94 128.5 55.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 74.52 110.875 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -127.13 127.3 44.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 75.35 110.892 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 63.0 m -118.6 126.17 51.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 52.11 110.861 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -163.38 139.34 6.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 75.13 110.931 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 31.7 mttp 52.06 40.64 28.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 74.1 110.879 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 69.9 mm-40 63.2 35.03 12.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.268 -0.423 . . . . 74.15 110.914 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 29.7 ttt180 -129.59 102.32 6.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 74.13 110.904 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 99.1 m -112.45 130.57 55.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 72.23 110.878 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.5 m -144.17 151.14 16.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 73.53 111.105 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.46 106.99 14.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 73.02 111.185 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 . . . . . 0 C--N 1.328 -0.37 0 CA-C-N 116.258 -0.428 . . . . 72.55 110.916 -179.926 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 25.8 m . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.864 0.364 . . . . 61.41 110.933 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -120.78 127.4 51.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 63.54 110.935 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 67.5 ttt180 -106.29 125.4 50.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 74.52 110.883 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -126.94 135.16 50.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 75.35 110.933 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 63.4 m -123.36 125.92 45.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 52.11 110.911 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -160.28 137.55 9.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.459 . . . . 75.13 110.894 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 67.3 mttt 52.58 40.32 29.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.12 -0.491 . . . . 74.1 110.885 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 63.2 35.08 12.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 74.15 110.934 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 18.9 ttp180 -129.6 102.13 6.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 74.13 110.849 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 71.6 m -112.57 129.36 56.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.29 -0.413 . . . . 72.23 110.9 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 6.5 m -145.22 151.45 15.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 73.53 111.205 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.45 105.54 13.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 73.02 111.206 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 72.55 110.927 -179.908 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 77.1 m . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.931 0.396 . . . . 61.41 110.864 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 10.7 mtt85 -132.72 130.65 40.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.487 . . . . 63.54 110.87 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 30.1 ttm180 -114.23 120.99 42.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 74.52 110.951 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -123.89 121.55 35.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 75.35 110.939 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 57.5 m -113.87 126.84 55.63 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.197 -0.456 . . . . 52.11 110.956 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -163.82 138.16 5.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.142 -0.481 . . . . 75.13 110.948 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.9 mtmp? 52.19 40.58 29.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 74.1 110.859 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 63.25 35.03 12.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.279 -0.419 . . . . 74.15 110.854 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 44.0 ttp180 -129.62 101.69 6.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 74.13 110.895 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 96.6 m -112.53 130.05 56.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 72.23 110.898 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.5 m -144.86 150.71 15.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 73.53 111.121 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.15 106.63 14.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 73.02 111.151 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 72.55 110.846 -179.859 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 60.5 m . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.707 0.289 . . . . 61.41 110.923 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 17.8 mtp180 -138.67 142.45 39.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.173 -0.467 . . . . 63.54 110.893 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 24.3 ttp180 -116.45 134.69 54.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 74.52 110.861 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.5 mp -127.1 123.9 37.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 75.35 110.874 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 53.9 m -115.37 126.4 54.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.125 -0.488 . . . . 52.11 110.875 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -163.47 138.71 6.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 75.13 110.943 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 47.9 mtpt 52.17 40.59 29.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 74.1 110.868 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 63.28 35.07 12.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 74.15 110.898 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 47.6 ttt180 -129.68 102.34 6.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 74.13 110.83 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 94.4 m -112.25 129.6 56.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 72.23 110.885 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.1 m -145.39 151.3 15.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 73.53 111.178 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.94 109.76 18.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 73.02 111.16 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 72.55 110.901 -179.907 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 82.4 m . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.771 0.319 . . . . 61.41 110.927 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 14.9 mtp180 -134.43 145.72 49.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.293 -0.412 . . . . 63.54 110.841 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 21.2 ttp180 -117.24 127.94 54.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 74.52 110.956 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.4 mt -124.95 123.29 39.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 75.35 110.961 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 56.0 m -118.86 126.88 52.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.436 . . . . 52.11 110.907 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -163.95 138.71 5.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 75.13 110.97 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.8 mtmt 51.97 40.92 29.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 74.1 110.888 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 63.28 34.93 12.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.317 -0.402 . . . . 74.15 110.913 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 49.5 ttp180 -129.7 103.27 6.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.284 -0.416 . . . . 74.13 110.893 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 90.6 m -112.3 129.46 56.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 72.23 110.878 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.2 m -145.31 151.01 15.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 73.53 111.15 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.64 106.15 14.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.172 -0.467 . . . . 73.02 111.133 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 72.55 110.9 -179.964 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 85.4 m . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.892 0.377 . . . . 61.41 110.843 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 14.3 ptt180 -130.03 146.86 51.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 63.54 110.812 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 33.5 ttp180 -116.11 129.06 56.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 74.52 110.904 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.4 mt -123.8 122.56 38.36 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.257 -0.429 . . . . 75.35 110.902 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 55.9 m -117.83 127.53 53.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 52.11 110.933 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -164.53 138.57 5.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 75.13 110.935 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 39.9 mtmt 52.02 40.81 29.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 74.1 110.918 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 41.3 mm-40 63.32 34.96 12.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 74.15 110.93 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.8 ttp180 -129.71 103.21 6.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 74.13 110.864 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 88.6 m -112.32 129.42 56.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 72.23 110.84 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.9 m -145.36 150.22 15.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.117 -0.492 . . . . 73.53 111.085 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.61 105.99 14.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 73.02 111.185 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 72.55 110.933 -179.915 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 83.1 m . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.766 0.317 . . . . 61.41 110.957 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 11.7 mtp85 -133.72 140.39 46.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 63.54 110.913 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 50.8 ttt180 -116.35 131.44 56.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 74.52 110.958 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -125.81 124.96 42.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.12 -0.491 . . . . 75.35 110.989 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 56.6 m -115.43 126.16 54.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.306 -0.406 . . . . 52.11 110.915 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -162.61 138.29 7.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.074 0.464 . . . . 75.13 110.868 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.4 mttm 51.95 40.73 28.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 74.1 110.867 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 63.39 34.91 12.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 74.15 110.893 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 44.4 ttp180 -129.68 102.78 6.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.248 -0.433 . . . . 74.13 110.881 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 94.9 m -112.35 129.54 56.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 72.23 110.914 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 6.5 m -145.23 151.22 15.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 73.53 111.067 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -114.49 110.85 20.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 73.02 111.177 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.218 -0.446 . . . . 72.55 110.906 -179.853 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 57.4 m . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.8 0.334 . . . . 61.41 110.91 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 26.0 ptt180 -142.59 142.72 32.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.137 -0.483 . . . . 63.54 110.824 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -117.76 132.85 56.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 74.52 110.847 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -127.33 125.4 40.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.094 -0.503 . . . . 75.35 110.834 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 60.1 m -116.51 126.78 53.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 52.11 110.833 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -163.19 138.15 6.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.133 -0.485 . . . . 75.13 110.88 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 63.7 mttm 52.14 40.5 28.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 74.1 110.9 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 51.9 mm-40 63.22 34.92 13.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 74.15 110.932 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 38.0 ttt180 -129.64 101.67 6.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.163 -0.471 . . . . 74.13 110.936 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 83.4 m -112.28 129.39 56.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.424 . . . . 72.23 110.835 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.3 m -145.23 151.31 15.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 73.53 111.167 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.99 112.13 22.79 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.209 -0.45 . . . . 73.02 111.14 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 72.55 110.911 -179.899 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 65.0 m . . . . . 0 CA--C 1.526 0.049 0 CA-C-O 120.839 0.352 . . . . 61.41 110.856 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 10.6 ptp180 -141.55 142.84 33.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 63.54 110.881 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 22.1 ttt180 -114.93 130.89 57.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.425 . . . . 74.52 110.825 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.5 mt -126.71 124.15 39.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 75.35 111.0 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 55.9 m -115.98 125.07 52.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 52.11 110.975 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -160.88 139.02 9.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 75.13 110.947 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 56.1 mtmt 52.11 40.61 28.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 74.1 110.937 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 43.2 mm-40 63.36 34.97 12.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.218 -0.446 . . . . 74.15 110.835 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.8 tpt180 -129.65 105.37 8.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.301 -0.409 . . . . 74.13 110.913 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 89.6 m -114.08 129.41 56.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 72.23 110.837 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 6.7 m -145.25 151.31 15.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 73.53 111.156 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.98 105.89 15.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.079 -0.509 . . . . 73.02 111.143 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.436 . . . . 72.55 110.998 -179.973 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 85.8 m . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.846 0.355 . . . . 61.41 110.836 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.0 ptp180 -142.44 139.64 31.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.111 -0.495 . . . . 63.54 110.854 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 28.4 ttt180 -113.13 126.46 55.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.146 -0.479 . . . . 74.52 110.903 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.8 mt -125.41 122.29 36.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 75.35 110.89 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 56.1 m -117.41 127.97 54.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 52.11 110.922 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -165.01 138.65 4.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.253 -0.43 . . . . 75.13 110.967 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 47.5 mttt 51.91 40.9 29.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 74.1 110.895 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 63.19 34.98 13.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 74.15 111.02 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 32.2 ttp180 -129.78 103.04 6.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.183 -0.462 . . . . 74.13 110.83 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 88.2 m -112.27 129.37 56.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.138 -0.483 . . . . 72.23 110.898 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.9 m -145.24 150.85 15.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 73.53 111.142 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.88 106.05 14.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 73.02 111.176 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 72.55 111.017 -179.942 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 63.3 m . . . . . 0 CA--C 1.527 0.091 0 CA-C-O 120.857 0.36 . . . . 61.41 110.886 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 22.7 ptt180 -138.31 133.78 33.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 63.54 110.896 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -112.2 130.79 55.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 74.52 110.934 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.2 mp -128.61 128.74 44.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.458 . . . . 75.35 110.913 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 58.0 m -120.59 127.99 52.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.486 . . . . 52.11 110.916 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -165.21 139.03 4.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 75.13 110.874 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 35.5 mtmt 52.15 40.04 27.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 74.1 110.827 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 63.26 35.04 12.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.305 -0.407 . . . . 74.15 110.928 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 41.5 ttt180 -129.72 101.88 6.09 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.132 -0.486 . . . . 74.13 110.872 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 90.7 m -112.38 130.18 56.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.299 -0.41 . . . . 72.23 110.873 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.2 m -145.09 151.26 15.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.489 . . . . 73.53 111.139 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.9 107.71 15.77 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.158 -0.473 . . . . 73.02 111.119 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.173 -0.467 . . . . 72.55 110.89 -179.943 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 94.3 m . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.797 0.332 . . . . 61.41 110.988 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -118.61 132.36 56.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 63.54 110.826 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 37.4 ttt85 -109.09 122.95 48.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 74.52 110.889 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.2 mt -123.17 120.87 34.47 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.216 -0.447 . . . . 75.35 110.939 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 59.2 m -116.97 126.4 52.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 52.11 110.85 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -163.81 138.43 5.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 75.13 110.89 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.4 mtpp 51.93 40.92 29.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 74.1 110.918 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 63.28 35.04 12.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 74.15 110.949 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 44.0 ttp180 -129.7 102.25 6.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 74.13 110.898 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 84.8 m -112.34 129.41 56.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 72.23 110.854 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.4 m -145.26 150.93 15.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 73.53 111.212 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.01 105.77 14.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 73.02 111.115 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.232 -0.44 . . . . 72.55 110.958 -179.99 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 58.4 m . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.79 0.329 . . . . 61.41 110.92 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.3 150.89 39.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 63.54 110.883 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 29.4 ttt85 -117.65 134.72 54.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 74.52 110.94 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -124.44 123.75 40.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.23 -0.441 . . . . 75.35 110.891 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 61.4 m -115.29 127.74 55.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 52.11 110.872 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -163.51 137.33 5.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.081 -0.509 . . . . 75.13 110.984 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 44.3 mtpt 52.03 40.84 29.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 74.1 110.884 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 63.38 34.89 12.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 74.15 110.895 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 32.2 ttt180 -129.71 101.63 5.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.261 -0.427 . . . . 74.13 110.887 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 74.6 m -112.32 129.41 56.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 72.23 110.813 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 6.6 m -145.34 150.9 15.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 73.53 111.074 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.72 111.18 21.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 73.02 111.131 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 72.55 110.946 -179.998 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 85.7 m . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.812 0.339 . . . . 61.41 110.993 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 7.0 mmt-85 -123.25 128.39 49.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.291 -0.413 . . . . 63.54 110.872 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 7.5 tpt180 -111.57 122.06 46.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 74.52 110.858 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -126.58 123.94 38.82 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.194 -0.457 . . . . 75.35 110.995 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 59.0 m -113.32 127.74 56.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.206 -0.452 . . . . 52.11 110.829 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -162.05 138.59 8.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 75.13 110.915 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 29.5 mtmm 51.91 40.74 28.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.073 -0.512 . . . . 74.1 110.978 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 63.25 34.91 12.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.143 -0.48 . . . . 74.15 111.006 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.8 tpt180 -129.69 106.35 8.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.463 . . . . 74.13 110.87 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 85.0 m -115.8 129.35 56.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 72.23 110.931 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.9 m -145.25 150.94 15.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 73.53 111.088 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.25 108.51 17.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 73.02 111.1 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.242 -0.436 . . . . 72.55 110.992 -179.973 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 71.0 m . . . . . 0 N--CA 1.457 -0.124 0 CA-C-O 120.779 0.323 . . . . 61.41 110.89 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 81.1 mtm-85 -130.24 130.88 45.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 63.54 110.922 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 33.9 ttp180 -111.61 128.19 55.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 74.52 110.792 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.8 mt -127.75 125.29 39.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.102 -0.499 . . . . 75.35 110.905 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 57.1 m -114.1 125.1 53.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.487 . . . . 52.11 110.886 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -159.51 139.11 11.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.17 -0.468 . . . . 75.13 110.91 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 42.9 mtpt 52.13 40.73 29.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 74.1 110.858 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 63.09 34.91 13.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 74.15 110.887 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.65 106.82 8.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 74.13 110.906 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 98.7 m -115.1 129.4 56.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.437 . . . . 72.23 110.944 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 6.9 m -145.27 151.28 15.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 73.53 111.151 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.01 105.46 15.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.273 -0.421 . . . . 73.02 111.159 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 72.55 110.969 -179.914 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 59.3 m . . . . . 0 C--O 1.233 0.193 0 CA-C-O 120.813 0.34 . . . . 61.41 110.921 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 5.9 ptp85 -148.7 145.82 27.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 63.54 110.894 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 30.3 ttm180 -111.38 132.13 54.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 74.52 110.916 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.5 mt -125.03 124.9 42.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 75.35 110.937 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 55.6 m -119.92 127.92 53.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.266 -0.425 . . . . 52.11 110.905 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -164.97 138.09 4.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 75.13 110.926 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 33.7 mtmm 51.98 40.97 29.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 74.1 110.849 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 20.8 mm100 63.3 34.95 12.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.279 -0.419 . . . . 74.15 110.9 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 21.8 ttt-85 -129.63 102.7 6.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 74.13 110.964 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 84.1 m -112.34 129.48 56.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 72.23 110.86 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.2 m -145.39 151.19 15.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.49 . . . . 73.53 111.149 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.9 106.95 15.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 73.02 111.199 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 72.55 110.813 -179.779 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 67.4 m . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.867 0.365 . . . . 61.41 110.837 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -146.67 145.91 30.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 63.54 110.845 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 49.2 ttt180 -114.43 132.97 56.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 74.52 110.922 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.4 mt -127.06 127.66 45.06 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.237 -0.438 . . . . 75.35 110.904 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 55.7 m -122.15 127.1 49.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.456 . . . . 52.11 110.906 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -163.65 138.31 6.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.499 . . . . 75.13 110.876 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 46.1 mtpt 51.88 40.86 28.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.118 -0.492 . . . . 74.1 110.926 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 6.9 mp0 63.42 34.95 12.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 74.15 110.905 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 19.8 ttp180 -129.73 103.21 6.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 74.13 110.957 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 84.1 m -112.32 129.4 56.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 72.23 110.864 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 8.3 m -145.31 151.01 15.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.473 . . . . 73.53 111.151 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.02 108.42 18.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.295 -0.411 . . . . 73.02 111.151 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 72.55 110.917 -179.955 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 59.2 m . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.807 0.337 . . . . 61.41 110.816 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 80.4 mtm-85 -122.87 137.94 54.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.13 -0.486 . . . . 63.54 110.945 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 35.0 ttp180 -111.91 128.67 56.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 74.52 110.898 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.0 mt -127.17 123.01 35.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 75.35 110.895 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 56.0 m -115.51 124.91 52.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 52.11 110.875 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -160.65 139.27 10.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 75.13 110.949 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.4 mtpp 51.92 40.63 28.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.495 . . . . 74.1 110.937 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 63.32 35.01 12.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 74.15 110.865 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.2 tpt180 -129.75 105.58 8.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 74.13 110.873 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 87.3 m -113.9 129.34 56.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 72.23 110.931 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 6.6 m -145.22 151.31 15.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 73.53 111.182 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.24 105.48 14.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 73.02 111.113 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 72.55 110.956 -179.943 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 76.8 m . . . . . 0 N--CA 1.457 -0.107 0 CA-C-O 120.848 0.356 . . . . 61.41 110.887 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 10.7 mtp85 -139.08 140.51 38.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 63.54 110.878 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.45 126.68 55.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 74.52 110.88 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.8 mt -122.41 122.76 39.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.158 -0.474 . . . . 75.35 110.934 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 57.8 m -118.26 127.65 53.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.464 . . . . 52.11 110.852 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -164.91 138.4 4.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 75.13 110.933 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.1 mtmp? 51.93 40.88 29.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 74.1 110.95 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 63.28 34.99 12.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 74.15 111.002 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -129.72 102.54 6.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 74.13 110.896 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 89.7 m -112.37 129.46 56.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 72.23 110.89 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.0 m -145.31 150.79 15.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 73.53 111.154 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.59 109.03 18.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 73.02 111.135 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 72.55 110.945 -179.974 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 78.1 m . . . . . 0 CA--C 1.527 0.07 0 CA-C-O 120.785 0.326 . . . . 61.41 110.903 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 23.4 mtp85 -144.68 141.71 29.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 63.54 110.87 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 25.6 ttm180 -115.08 130.4 56.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 74.52 110.837 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.4 mt -125.56 127.84 47.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 75.35 110.945 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 56.1 m -118.5 125.01 48.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 52.11 110.829 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -159.89 138.86 10.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.127 -0.488 . . . . 75.13 110.976 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 59.5 mtpt 51.92 40.79 28.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 74.1 110.874 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 63.29 34.89 12.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.194 -0.457 . . . . 74.15 110.973 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -129.74 106.12 8.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.153 -0.476 . . . . 74.13 110.918 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 93.7 m -114.44 129.43 56.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 72.23 110.866 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 6.8 m -145.32 151.47 15.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.106 -0.497 . . . . 73.53 111.081 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.36 107.98 18.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.201 -0.454 . . . . 73.02 111.155 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.437 . . . . 72.55 110.935 -179.927 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.708 0 CA-C-O 125.439 2.542 . . . . 74.31 106.407 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 98.7 m -130.99 158.52 40.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 111.613 -2.54 . . . . 61.41 110.872 -179.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 27.2 mtm180 -138.07 131.89 31.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 63.54 110.889 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 49.3 ttt180 -116.94 128.5 55.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 74.52 110.875 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -127.13 127.3 44.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 75.35 110.892 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 63.0 m -118.6 126.17 51.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 52.11 110.861 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -163.38 139.34 6.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 75.13 110.931 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 31.7 mttp 52.06 40.64 28.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 74.1 110.879 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 69.9 mm-40 63.2 35.03 12.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.268 -0.423 . . . . 74.15 110.914 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 29.7 ttt180 -129.59 102.32 6.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 74.13 110.904 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 99.1 m -112.45 130.57 55.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 72.23 110.878 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.5 m -144.17 151.14 16.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 73.53 111.105 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.46 106.99 14.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 73.02 111.185 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -100.33 122.67 43.47 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.258 -0.428 . . . . 72.55 110.916 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 62.1 m -118.51 163.27 17.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.077 -0.511 . . . . 63.31 110.871 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.5 ptt180 -52.89 144.28 15.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 75.31 110.86 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 148.59 -77.43 0.24 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.742 -0.742 . . . . 70.52 112.498 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 41.4 mtp180 -106.85 129.75 54.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.78 0.324 . . . . 75.34 110.908 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 73.44 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.508 -0.653 0 CA-C-O 125.348 2.499 . . . . 74.31 106.385 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 25.8 m -115.15 159.65 20.65 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 111.596 -2.547 . . . . 61.41 110.933 -179.284 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -120.78 127.4 51.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 63.54 110.935 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 67.5 ttt180 -106.29 125.4 50.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 74.52 110.883 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -126.94 135.16 50.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 75.35 110.933 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 63.4 m -123.36 125.92 45.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 52.11 110.911 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -160.28 137.55 9.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.459 . . . . 75.13 110.894 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 67.3 mttt 52.58 40.32 29.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.12 -0.491 . . . . 74.1 110.885 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 63.2 35.08 12.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 74.15 110.934 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 18.9 ttp180 -129.6 102.13 6.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 74.13 110.849 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 71.6 m -112.57 129.36 56.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.29 -0.413 . . . . 72.23 110.9 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 6.5 m -145.22 151.45 15.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 73.53 111.205 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.45 105.54 13.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 73.02 111.206 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -102.06 128.62 48.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 72.55 110.927 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.5 m -112.08 164.04 13.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.097 -0.501 . . . . 63.31 110.857 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 15.3 mmt180 -53.33 134.28 39.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 75.31 110.911 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 132.32 -107.25 0.7 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.754 -0.736 . . . . 70.52 112.522 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 45.1 mtt180 -57.0 138.51 54.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.823 0.344 . . . . 75.34 110.835 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 73.44 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.681 0 CA-C-O 125.449 2.547 . . . . 74.31 106.378 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 77.1 m -122.68 162.97 20.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 111.619 -2.537 . . . . 61.41 110.864 -179.226 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 10.7 mtt85 -132.72 130.65 40.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.487 . . . . 63.54 110.87 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 30.1 ttm180 -114.23 120.99 42.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 74.52 110.951 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -123.89 121.55 35.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 75.35 110.939 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 57.5 m -113.87 126.84 55.63 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.197 -0.456 . . . . 52.11 110.956 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -163.82 138.16 5.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.142 -0.481 . . . . 75.13 110.948 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.9 mtmp? 52.19 40.58 29.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 74.1 110.859 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 63.25 35.03 12.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.279 -0.419 . . . . 74.15 110.854 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 44.0 ttp180 -129.62 101.69 6.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 74.13 110.895 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 96.6 m -112.53 130.05 56.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 72.23 110.898 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.5 m -144.86 150.71 15.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 73.53 111.121 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.15 106.63 14.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 73.02 111.151 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -101.06 118.24 36.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 72.55 110.846 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 46.6 m -110.43 152.97 25.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.082 -0.508 . . . . 63.31 110.993 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -72.79 138.44 46.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 75.31 110.891 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 130.02 -174.71 19.44 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.759 -0.734 . . . . 70.52 112.479 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -70.63 112.15 6.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.789 0.328 . . . . 75.34 110.892 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 73.44 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.685 0 CA-C-O 125.364 2.507 . . . . 74.31 106.427 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 60.5 m -119.83 156.19 31.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 111.592 -2.549 . . . . 61.41 110.923 -179.166 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 17.8 mtp180 -138.67 142.45 39.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.173 -0.467 . . . . 63.54 110.893 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 24.3 ttp180 -116.45 134.69 54.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 74.52 110.861 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.5 mp -127.1 123.9 37.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 75.35 110.874 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 53.9 m -115.37 126.4 54.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.125 -0.488 . . . . 52.11 110.875 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -163.47 138.71 6.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 75.13 110.943 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 47.9 mtpt 52.17 40.59 29.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 74.1 110.868 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 63.28 35.07 12.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 74.15 110.898 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 47.6 ttt180 -129.68 102.34 6.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 74.13 110.83 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 94.4 m -112.25 129.6 56.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 72.23 110.885 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.1 m -145.39 151.3 15.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 73.53 111.178 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.94 109.76 18.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 73.02 111.16 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -110.11 128.49 55.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 72.55 110.901 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 69.0 m -108.44 151.38 26.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 63.31 110.869 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.7 mmm180 -56.21 145.28 26.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 75.31 110.848 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 101.03 -101.24 2.23 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.725 -0.75 . . . . 70.52 112.454 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -66.45 -67.41 0.45 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.833 0.349 . . . . 75.34 110.861 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 73.44 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.687 0 CA-C-O 125.444 2.545 . . . . 74.31 106.418 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 82.4 m -119.74 162.44 19.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 111.606 -2.543 . . . . 61.41 110.927 -179.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 14.9 mtp180 -134.43 145.72 49.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.293 -0.412 . . . . 63.54 110.841 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 21.2 ttp180 -117.24 127.94 54.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 74.52 110.956 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.4 mt -124.95 123.29 39.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 75.35 110.961 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 56.0 m -118.86 126.88 52.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.436 . . . . 52.11 110.907 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -163.95 138.71 5.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 75.13 110.97 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.8 mtmt 51.97 40.92 29.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 74.1 110.888 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 63.28 34.93 12.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.317 -0.402 . . . . 74.15 110.913 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 49.5 ttp180 -129.7 103.27 6.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.284 -0.416 . . . . 74.13 110.893 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 90.6 m -112.3 129.46 56.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 72.23 110.878 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.2 m -145.31 151.01 15.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 73.53 111.15 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.64 106.15 14.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.172 -0.467 . . . . 73.02 111.133 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -105.61 129.39 53.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 72.55 110.9 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 25.8 m -112.53 158.76 19.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 63.31 110.908 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -77.33 135.91 38.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 75.31 110.824 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -112.31 135.23 12.56 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.728 -0.749 . . . . 70.52 112.505 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 30.0 tpt180 -95.97 101.97 13.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.876 0.37 . . . . 75.34 110.793 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.162 -0.472 . . . . 73.44 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.506 -0.731 0 CA-C-O 125.392 2.52 . . . . 74.31 106.486 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 85.4 m -126.95 150.82 49.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 111.676 -2.511 . . . . 61.41 110.843 -179.226 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 14.3 ptt180 -130.03 146.86 51.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 63.54 110.812 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 33.5 ttp180 -116.11 129.06 56.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 74.52 110.904 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.4 mt -123.8 122.56 38.36 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.257 -0.429 . . . . 75.35 110.902 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 55.9 m -117.83 127.53 53.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 52.11 110.933 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -164.53 138.57 5.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 75.13 110.935 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 39.9 mtmt 52.02 40.81 29.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 74.1 110.918 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 41.3 mm-40 63.32 34.96 12.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 74.15 110.93 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.8 ttp180 -129.71 103.21 6.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 74.13 110.864 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 88.6 m -112.32 129.42 56.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 72.23 110.84 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.9 m -145.36 150.22 15.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.117 -0.492 . . . . 73.53 111.085 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.61 105.99 14.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 73.02 111.185 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -103.45 127.66 50.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 72.55 110.933 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 60.0 m -112.14 164.33 13.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.074 -0.512 . . . . 63.31 110.914 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.4 mmm180 -58.93 137.61 57.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 75.31 110.868 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 159.26 -88.27 0.11 Allowed Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.708 -0.758 . . . . 70.52 112.469 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.7 ttp180 -138.86 119.54 14.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.856 0.36 . . . . 75.34 110.799 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.097 -0.501 . . . . 73.44 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.693 0 CA-C-O 125.334 2.492 . . . . 74.31 106.415 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 83.1 m -117.26 147.52 42.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 111.658 -2.519 . . . . 61.41 110.957 -179.242 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 11.7 mtp85 -133.72 140.39 46.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 63.54 110.913 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 50.8 ttt180 -116.35 131.44 56.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 74.52 110.958 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -125.81 124.96 42.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.12 -0.491 . . . . 75.35 110.989 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 56.6 m -115.43 126.16 54.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.306 -0.406 . . . . 52.11 110.915 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -162.61 138.29 7.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.074 0.464 . . . . 75.13 110.868 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.4 mttm 51.95 40.73 28.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 74.1 110.867 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 63.39 34.91 12.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 74.15 110.893 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 44.4 ttp180 -129.68 102.78 6.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.248 -0.433 . . . . 74.13 110.881 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 94.9 m -112.35 129.54 56.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 72.23 110.914 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 6.5 m -145.23 151.22 15.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 73.53 111.067 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -114.49 110.85 20.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 73.02 111.177 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -108.57 124.06 49.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.218 -0.446 . . . . 72.55 110.906 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 74.5 m -107.4 150.94 26.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 63.31 110.845 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.2 ppt_? -58.48 153.29 16.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.114 -0.494 . . . . 75.31 110.943 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 132.53 -57.23 0.72 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.724 -0.751 . . . . 70.52 112.526 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 28.6 mmt85 -122.32 -175.47 3.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.814 0.34 . . . . 75.34 110.888 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.286 -0.416 . . . . 73.44 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.509 -0.626 0 CA-C-O 125.334 2.492 . . . . 74.31 106.41 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 57.4 m -116.12 165.72 12.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 111.632 -2.531 . . . . 61.41 110.91 -179.24 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 26.0 ptt180 -142.59 142.72 32.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.137 -0.483 . . . . 63.54 110.824 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -117.76 132.85 56.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 74.52 110.847 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -127.33 125.4 40.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.094 -0.503 . . . . 75.35 110.834 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 60.1 m -116.51 126.78 53.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 52.11 110.833 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -163.19 138.15 6.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.133 -0.485 . . . . 75.13 110.88 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 63.7 mttm 52.14 40.5 28.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 74.1 110.9 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 51.9 mm-40 63.22 34.92 13.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 74.15 110.932 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 38.0 ttt180 -129.64 101.67 6.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.163 -0.471 . . . . 74.13 110.936 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 83.4 m -112.28 129.39 56.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.424 . . . . 72.23 110.835 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.3 m -145.23 151.31 15.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 73.53 111.167 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.99 112.13 22.79 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.209 -0.45 . . . . 73.02 111.14 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -111.66 126.32 54.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 72.55 110.911 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 61.0 m -108.09 172.43 6.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.107 -0.497 . . . . 63.31 110.801 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -62.6 145.17 55.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 75.31 110.902 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -179.48 164.56 32.69 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.748 -0.739 . . . . 70.52 112.485 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.8 ptm180 -152.56 161.26 42.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.889 0.375 . . . . 75.34 110.864 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 73.44 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.685 0 CA-C-O 125.34 2.495 . . . . 74.31 106.435 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 65.0 m -120.05 162.98 18.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 111.622 -2.535 . . . . 61.41 110.856 -179.171 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 10.6 ptp180 -141.55 142.84 33.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 63.54 110.881 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 22.1 ttt180 -114.93 130.89 57.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.425 . . . . 74.52 110.825 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.5 mt -126.71 124.15 39.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 75.35 111.0 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 55.9 m -115.98 125.07 52.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 52.11 110.975 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -160.88 139.02 9.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 75.13 110.947 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 56.1 mtmt 52.11 40.61 28.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 74.1 110.937 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 43.2 mm-40 63.36 34.97 12.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.218 -0.446 . . . . 74.15 110.835 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.8 tpt180 -129.65 105.37 8.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.301 -0.409 . . . . 74.13 110.913 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 89.6 m -114.08 129.41 56.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 72.23 110.837 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 6.7 m -145.25 151.31 15.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 73.53 111.156 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.98 105.89 15.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.079 -0.509 . . . . 73.02 111.143 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -100.7 128.82 46.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.436 . . . . 72.55 110.998 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 62.6 m -115.35 162.34 17.26 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.17 -0.468 . . . . 63.31 110.912 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -64.69 144.09 57.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 75.31 110.804 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 163.08 -65.81 0.24 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.755 -0.736 . . . . 70.52 112.532 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 -118.86 -36.44 3.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.793 0.33 . . . . 75.34 110.849 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 73.44 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.684 0 CA-C-O 125.459 2.552 . . . . 74.31 106.403 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 85.8 m -115.63 168.94 9.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 111.635 -2.53 . . . . 61.41 110.836 -179.183 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.0 ptp180 -142.44 139.64 31.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.111 -0.495 . . . . 63.54 110.854 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 28.4 ttt180 -113.13 126.46 55.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.146 -0.479 . . . . 74.52 110.903 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.8 mt -125.41 122.29 36.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 75.35 110.89 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 56.1 m -117.41 127.97 54.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 52.11 110.922 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -165.01 138.65 4.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.253 -0.43 . . . . 75.13 110.967 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 47.5 mttt 51.91 40.9 29.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 74.1 110.895 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 63.19 34.98 13.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 74.15 111.02 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 32.2 ttp180 -129.78 103.04 6.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.183 -0.462 . . . . 74.13 110.83 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 88.2 m -112.27 129.37 56.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.138 -0.483 . . . . 72.23 110.898 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.9 m -145.24 150.85 15.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 73.53 111.142 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.88 106.05 14.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 73.02 111.176 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -99.86 125.04 45.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 72.55 111.017 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 56.2 m -114.49 171.04 7.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 63.31 110.942 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 21.0 ptt-85 -53.33 137.81 34.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 75.31 110.911 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -103.45 -61.94 0.69 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.706 -0.759 . . . . 70.52 112.497 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 17.4 ptt180 -114.4 56.7 0.72 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.911 0.386 . . . . 75.34 110.905 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.482 . . . . 73.44 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.506 -0.728 0 CA-C-O 125.422 2.534 . . . . 74.31 106.403 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 63.3 m -115.06 165.07 13.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 111.575 -2.557 . . . . 61.41 110.886 -179.263 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 22.7 ptt180 -138.31 133.78 33.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 63.54 110.896 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -112.2 130.79 55.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 74.52 110.934 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.2 mp -128.61 128.74 44.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.458 . . . . 75.35 110.913 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 58.0 m -120.59 127.99 52.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.486 . . . . 52.11 110.916 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -165.21 139.03 4.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 75.13 110.874 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 35.5 mtmt 52.15 40.04 27.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 74.1 110.827 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 63.26 35.04 12.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.305 -0.407 . . . . 74.15 110.928 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 41.5 ttt180 -129.72 101.88 6.09 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.132 -0.486 . . . . 74.13 110.872 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 90.7 m -112.38 130.18 56.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.299 -0.41 . . . . 72.23 110.873 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.2 m -145.09 151.26 15.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.489 . . . . 73.53 111.139 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.9 107.71 15.77 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.158 -0.473 . . . . 73.02 111.119 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -103.91 128.29 51.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.173 -0.467 . . . . 72.55 110.89 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 61.5 m -115.82 139.46 50.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.094 -0.503 . . . . 63.31 110.868 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 50.5 mtt180 -66.1 148.91 51.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 75.31 110.927 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -74.5 147.6 37.48 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.81 -0.71 . . . . 70.52 112.438 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -93.11 94.54 8.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.861 0.362 . . . . 75.34 110.901 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 73.44 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.703 0 CA-C-O 125.496 2.57 . . . . 74.31 106.384 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 94.3 m -135.94 145.26 46.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 111.627 -2.533 . . . . 61.41 110.988 -179.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -118.61 132.36 56.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 63.54 110.826 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 37.4 ttt85 -109.09 122.95 48.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 74.52 110.889 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.2 mt -123.17 120.87 34.47 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.216 -0.447 . . . . 75.35 110.939 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 59.2 m -116.97 126.4 52.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 52.11 110.85 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -163.81 138.43 5.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 75.13 110.89 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.4 mtpp 51.93 40.92 29.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 74.1 110.918 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 63.28 35.04 12.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 74.15 110.949 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 44.0 ttp180 -129.7 102.25 6.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 74.13 110.898 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 84.8 m -112.34 129.41 56.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 72.23 110.854 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.4 m -145.26 150.93 15.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 73.53 111.212 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.01 105.77 14.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 73.02 111.115 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -100.13 113.94 26.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.232 -0.44 . . . . 72.55 110.958 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 25.1 m -107.5 136.92 46.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.123 -0.489 . . . . 63.31 110.893 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -64.94 161.7 17.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.284 -0.416 . . . . 75.31 110.826 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -129.85 -82.94 0.3 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.666 -0.778 . . . . 70.52 112.49 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 15.0 ptp180 -96.41 177.49 5.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.85 0.357 . . . . 75.34 110.888 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 73.44 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.699 0 CA-C-O 125.443 2.544 . . . . 74.31 106.456 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 58.4 m -128.05 154.9 45.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 111.6 -2.545 . . . . 61.41 110.92 -179.174 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.3 150.89 39.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 63.54 110.883 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 29.4 ttt85 -117.65 134.72 54.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 74.52 110.94 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -124.44 123.75 40.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.23 -0.441 . . . . 75.35 110.891 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 61.4 m -115.29 127.74 55.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 52.11 110.872 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -163.51 137.33 5.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.081 -0.509 . . . . 75.13 110.984 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 44.3 mtpt 52.03 40.84 29.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 74.1 110.884 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 63.38 34.89 12.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 74.15 110.895 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 32.2 ttt180 -129.71 101.63 5.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.261 -0.427 . . . . 74.13 110.887 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 74.6 m -112.32 129.41 56.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 72.23 110.813 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 6.6 m -145.34 150.9 15.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 73.53 111.074 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.72 111.18 21.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 73.02 111.131 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -114.48 131.25 56.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 72.55 110.946 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 60.9 m -109.35 163.86 13.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 63.31 110.898 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -52.99 142.1 20.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.279 -0.419 . . . . 75.31 110.857 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 77.19 -168.49 54.65 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.779 -0.724 . . . . 70.52 112.455 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 42.0 mtm180 -104.04 70.38 0.99 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.868 0.366 . . . . 75.34 110.851 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 73.44 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.677 0 CA-C-O 125.402 2.525 . . . . 74.31 106.412 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 85.7 m -130.88 155.41 46.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 111.634 -2.53 . . . . 61.41 110.993 -179.235 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 7.0 mmt-85 -123.25 128.39 49.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.291 -0.413 . . . . 63.54 110.872 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 7.5 tpt180 -111.57 122.06 46.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 74.52 110.858 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -126.58 123.94 38.82 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.194 -0.457 . . . . 75.35 110.995 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 59.0 m -113.32 127.74 56.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.206 -0.452 . . . . 52.11 110.829 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -162.05 138.59 8.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 75.13 110.915 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 29.5 mtmm 51.91 40.74 28.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.073 -0.512 . . . . 74.1 110.978 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 63.25 34.91 12.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.143 -0.48 . . . . 74.15 111.006 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.8 tpt180 -129.69 106.35 8.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.463 . . . . 74.13 110.87 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 85.0 m -115.8 129.35 56.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 72.23 110.931 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.9 m -145.25 150.94 15.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 73.53 111.088 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.25 108.51 17.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 73.02 111.1 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -99.99 116.58 32.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.242 -0.436 . . . . 72.55 110.992 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 37.6 m -109.32 153.93 23.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 63.31 110.963 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.6 mpt_? -60.71 137.12 58.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 75.31 110.878 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 159.04 -107.13 0.31 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.713 -0.756 . . . . 70.52 112.494 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.3 tpt180 -137.33 146.19 44.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.683 0.278 . . . . 75.34 110.972 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 73.44 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.506 -0.749 0 CA-C-O 125.414 2.53 . . . . 74.31 106.441 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 71.0 m -118.62 157.79 26.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 111.706 -2.497 . . . . 61.41 110.89 -179.215 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 81.1 mtm-85 -130.24 130.88 45.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 63.54 110.922 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 33.9 ttp180 -111.61 128.19 55.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 74.52 110.792 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.8 mt -127.75 125.29 39.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.102 -0.499 . . . . 75.35 110.905 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 57.1 m -114.1 125.1 53.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.487 . . . . 52.11 110.886 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -159.51 139.11 11.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.17 -0.468 . . . . 75.13 110.91 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 42.9 mtpt 52.13 40.73 29.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 74.1 110.858 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 63.09 34.91 13.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 74.15 110.887 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.65 106.82 8.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 74.13 110.906 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 98.7 m -115.1 129.4 56.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.437 . . . . 72.23 110.944 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 6.9 m -145.27 151.28 15.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 73.53 111.151 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.01 105.46 15.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.273 -0.421 . . . . 73.02 111.159 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -99.02 116.39 31.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 72.55 110.969 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 34.9 m -110.58 156.26 21.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 63.31 110.843 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -77.97 144.21 36.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.14 -0.482 . . . . 75.31 110.844 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 133.51 152.05 6.71 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.776 -0.726 . . . . 70.52 112.5 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.7 mmm180 -121.76 -69.51 0.83 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.755 0.312 . . . . 75.34 110.857 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 73.44 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.506 -0.712 0 CA-C-O 125.374 2.511 . . . . 74.31 106.44 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 59.3 m -118.99 162.74 18.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 111.614 -2.539 . . . . 61.41 110.921 -179.257 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 5.9 ptp85 -148.7 145.82 27.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 63.54 110.894 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 30.3 ttm180 -111.38 132.13 54.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 74.52 110.916 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.5 mt -125.03 124.9 42.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 75.35 110.937 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 55.6 m -119.92 127.92 53.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.266 -0.425 . . . . 52.11 110.905 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -164.97 138.09 4.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 75.13 110.926 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 33.7 mtmm 51.98 40.97 29.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 74.1 110.849 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 20.8 mm100 63.3 34.95 12.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.279 -0.419 . . . . 74.15 110.9 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 21.8 ttt-85 -129.63 102.7 6.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 74.13 110.964 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 84.1 m -112.34 129.48 56.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 72.23 110.86 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.2 m -145.39 151.19 15.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.49 . . . . 73.53 111.149 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.9 106.95 15.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 73.02 111.199 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -106.92 129.78 54.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 72.55 110.813 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 66.5 m -110.72 138.08 47.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.482 . . . . 63.31 110.801 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 17.4 mtm180 -67.4 142.13 56.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 75.31 110.926 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -150.39 -162.95 10.89 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.723 -0.751 . . . . 70.52 112.478 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 78.2 mtt180 -78.16 -59.88 2.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.861 0.363 . . . . 75.34 110.896 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 73.44 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.68 0 CA-C-O 125.378 2.514 . . . . 74.31 106.466 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 67.4 m -116.38 165.5 13.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 111.604 -2.543 . . . . 61.41 110.837 -179.159 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -146.67 145.91 30.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 63.54 110.845 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 49.2 ttt180 -114.43 132.97 56.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 74.52 110.922 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.4 mt -127.06 127.66 45.06 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.237 -0.438 . . . . 75.35 110.904 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 55.7 m -122.15 127.1 49.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.456 . . . . 52.11 110.906 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -163.65 138.31 6.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.499 . . . . 75.13 110.876 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 46.1 mtpt 51.88 40.86 28.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.118 -0.492 . . . . 74.1 110.926 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 6.9 mp0 63.42 34.95 12.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 74.15 110.905 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 19.8 ttp180 -129.73 103.21 6.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 74.13 110.957 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 84.1 m -112.32 129.4 56.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 72.23 110.864 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 8.3 m -145.31 151.01 15.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.473 . . . . 73.53 111.151 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.02 108.42 18.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.295 -0.411 . . . . 73.02 111.151 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -107.84 128.71 54.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 72.55 110.917 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 59.9 m -110.17 124.33 51.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 63.31 110.85 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 38.8 mtm180 -52.26 137.97 27.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 75.31 110.887 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 154.62 -71.5 0.27 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.86 -0.686 . . . . 70.52 112.577 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 28.0 ttp180 -136.43 129.67 31.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.755 0.312 . . . . 75.34 110.904 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 73.44 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.506 -0.744 0 CA-C-O 125.373 2.511 . . . . 74.31 106.501 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 59.2 m -119.86 156.18 31.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 111.692 -2.504 . . . . 61.41 110.816 -179.19 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 80.4 mtm-85 -122.87 137.94 54.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.13 -0.486 . . . . 63.54 110.945 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 35.0 ttp180 -111.91 128.67 56.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 74.52 110.898 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.0 mt -127.17 123.01 35.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 75.35 110.895 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 56.0 m -115.51 124.91 52.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 52.11 110.875 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -160.65 139.27 10.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 75.13 110.949 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.4 mtpp 51.92 40.63 28.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.495 . . . . 74.1 110.937 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 63.32 35.01 12.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 74.15 110.865 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.2 tpt180 -129.75 105.58 8.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 74.13 110.873 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 87.3 m -113.9 129.34 56.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 72.23 110.931 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 6.6 m -145.22 151.31 15.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 73.53 111.182 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.24 105.48 14.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 73.02 111.113 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -98.97 125.34 44.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 72.55 110.956 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 36.1 m -112.35 161.86 16.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.458 . . . . 63.31 110.922 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.24 147.95 12.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 75.31 110.797 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -155.31 107.22 0.31 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.847 -0.692 . . . . 70.52 112.552 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 18.6 ttt-85 -122.55 -52.19 1.93 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.817 0.342 . . . . 75.34 110.844 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 73.44 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.687 0 CA-C-O 125.425 2.536 . . . . 74.31 106.41 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 76.8 m -121.81 158.3 29.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 111.624 -2.535 . . . . 61.41 110.887 -179.244 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 10.7 mtp85 -139.08 140.51 38.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 63.54 110.878 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.45 126.68 55.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 74.52 110.88 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.8 mt -122.41 122.76 39.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.158 -0.474 . . . . 75.35 110.934 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 57.8 m -118.26 127.65 53.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.464 . . . . 52.11 110.852 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -164.91 138.4 4.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 75.13 110.933 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.1 mtmp? 51.93 40.88 29.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 74.1 110.95 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 63.28 34.99 12.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 74.15 111.002 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -129.72 102.54 6.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 74.13 110.896 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 89.7 m -112.37 129.46 56.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 72.23 110.89 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.0 m -145.31 150.79 15.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 73.53 111.154 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.59 109.03 18.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 73.02 111.135 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -109.05 127.3 54.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 72.55 110.945 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 28.1 m -112.36 151.64 29.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.032 -0.531 . . . . 63.31 110.872 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 54.4 mmt-85 -61.75 134.97 57.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 75.31 110.876 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -179.68 -161.89 27.77 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.761 -0.733 . . . . 70.52 112.458 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 33.8 ttp85 -65.28 154.21 38.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.72 0.295 . . . . 75.34 110.92 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 73.44 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.506 -0.72 0 CA-C-O 125.455 2.55 . . . . 74.31 106.393 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 78.1 m -115.76 161.64 18.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 111.599 -2.546 . . . . 61.41 110.903 -179.226 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 23.4 mtp85 -144.68 141.71 29.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 63.54 110.87 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 25.6 ttm180 -115.08 130.4 56.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 74.52 110.837 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.4 mt -125.56 127.84 47.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 75.35 110.945 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 56.1 m -118.5 125.01 48.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 52.11 110.829 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -159.89 138.86 10.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.127 -0.488 . . . . 75.13 110.976 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 59.5 mtpt 51.92 40.79 28.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 74.1 110.874 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 63.29 34.89 12.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.194 -0.457 . . . . 74.15 110.973 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -129.74 106.12 8.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.153 -0.476 . . . . 74.13 110.918 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 93.7 m -114.44 129.43 56.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 72.23 110.866 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 6.8 m -145.32 151.47 15.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.106 -0.497 . . . . 73.53 111.081 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.36 107.98 18.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.201 -0.454 . . . . 73.02 111.155 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -105.63 126.26 51.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.437 . . . . 72.55 110.935 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 57.4 m -113.06 131.78 55.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.137 -0.483 . . . . 63.31 110.923 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 32.3 mtm180 -58.54 142.16 49.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 75.31 110.867 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -111.2 -109.56 3.13 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.72 -0.752 . . . . 70.52 112.463 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 14.1 mmt180 -82.43 99.94 9.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.819 0.343 . . . . 75.34 110.856 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 73.44 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 98.7 m . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.851 0.358 . . . . 61.41 110.872 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 27.2 mtm180 -138.07 131.89 31.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 63.54 110.889 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 49.3 ttt180 -116.94 128.5 55.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 74.52 110.875 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -127.13 127.3 44.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 75.35 110.892 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 63.0 m -118.6 126.17 51.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 44.2 110.861 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -163.38 139.34 6.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 74.23 110.931 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 31.7 mttp 52.06 40.64 28.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 70.03 110.879 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 69.9 mm-40 63.2 35.03 12.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.268 -0.423 . . . . 74.15 110.914 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 29.7 ttt180 -129.59 102.32 6.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 71.44 110.904 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 99.1 m -112.45 130.57 55.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 72.23 110.878 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.5 m -144.17 151.14 16.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 73.53 111.105 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.46 106.99 14.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 73.02 111.185 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 . . . . . 0 C--N 1.328 -0.37 0 CA-C-N 116.258 -0.428 . . . . 72.55 110.916 -179.926 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 25.8 m . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.864 0.364 . . . . 61.41 110.933 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -120.78 127.4 51.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 63.54 110.935 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 67.5 ttt180 -106.29 125.4 50.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 74.52 110.883 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -126.94 135.16 50.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 75.35 110.933 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 63.4 m -123.36 125.92 45.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 44.2 110.911 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -160.28 137.55 9.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.459 . . . . 74.23 110.894 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 67.3 mttt 52.58 40.32 29.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.12 -0.491 . . . . 70.03 110.885 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 63.2 35.08 12.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 74.15 110.934 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 18.9 ttp180 -129.6 102.13 6.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 71.44 110.849 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 71.6 m -112.57 129.36 56.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.29 -0.413 . . . . 72.23 110.9 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 6.5 m -145.22 151.45 15.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 73.53 111.205 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.45 105.54 13.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 73.02 111.206 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 72.55 110.927 -179.908 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 77.1 m . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.931 0.396 . . . . 61.41 110.864 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 10.7 mtt85 -132.72 130.65 40.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.487 . . . . 63.54 110.87 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 30.1 ttm180 -114.23 120.99 42.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 74.52 110.951 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -123.89 121.55 35.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 75.35 110.939 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 57.5 m -113.87 126.84 55.63 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.197 -0.456 . . . . 44.2 110.956 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -163.82 138.16 5.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.142 -0.481 . . . . 74.23 110.948 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.9 mtmp? 52.19 40.58 29.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 70.03 110.859 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 63.25 35.03 12.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.279 -0.419 . . . . 74.15 110.854 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 44.0 ttp180 -129.62 101.69 6.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 71.44 110.895 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 96.6 m -112.53 130.05 56.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 72.23 110.898 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.5 m -144.86 150.71 15.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 73.53 111.121 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.15 106.63 14.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 73.02 111.151 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 72.55 110.846 -179.859 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 60.5 m . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.707 0.289 . . . . 61.41 110.923 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 17.8 mtp180 -138.67 142.45 39.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.173 -0.467 . . . . 63.54 110.893 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 24.3 ttp180 -116.45 134.69 54.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 74.52 110.861 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.5 mp -127.1 123.9 37.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 75.35 110.874 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 53.9 m -115.37 126.4 54.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.125 -0.488 . . . . 44.2 110.875 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -163.47 138.71 6.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 74.23 110.943 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 47.9 mtpt 52.17 40.59 29.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 70.03 110.868 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 63.28 35.07 12.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 74.15 110.898 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 47.6 ttt180 -129.68 102.34 6.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 71.44 110.83 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 94.4 m -112.25 129.6 56.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 72.23 110.885 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.1 m -145.39 151.3 15.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 73.53 111.178 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.94 109.76 18.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 73.02 111.16 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 72.55 110.901 -179.907 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 82.4 m . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.771 0.319 . . . . 61.41 110.927 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 14.9 mtp180 -134.43 145.72 49.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.293 -0.412 . . . . 63.54 110.841 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 21.2 ttp180 -117.24 127.94 54.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 74.52 110.956 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.4 mt -124.95 123.29 39.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 75.35 110.961 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 56.0 m -118.86 126.88 52.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.436 . . . . 44.2 110.907 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -163.95 138.71 5.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 74.23 110.97 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.8 mtmt 51.97 40.92 29.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 70.03 110.888 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 63.28 34.93 12.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.317 -0.402 . . . . 74.15 110.913 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 49.5 ttp180 -129.7 103.27 6.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.284 -0.416 . . . . 71.44 110.893 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 90.6 m -112.3 129.46 56.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 72.23 110.878 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.2 m -145.31 151.01 15.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 73.53 111.15 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.64 106.15 14.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.172 -0.467 . . . . 73.02 111.133 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 72.55 110.9 -179.964 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 85.4 m . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.892 0.377 . . . . 61.41 110.843 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 14.3 ptt180 -130.03 146.86 51.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 63.54 110.812 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 33.5 ttp180 -116.11 129.06 56.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 74.52 110.904 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.4 mt -123.8 122.56 38.36 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.257 -0.429 . . . . 75.35 110.902 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 55.9 m -117.83 127.53 53.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 44.2 110.933 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -164.53 138.57 5.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 74.23 110.935 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 39.9 mtmt 52.02 40.81 29.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 70.03 110.918 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 41.3 mm-40 63.32 34.96 12.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 74.15 110.93 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.8 ttp180 -129.71 103.21 6.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 71.44 110.864 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 88.6 m -112.32 129.42 56.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 72.23 110.84 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.9 m -145.36 150.22 15.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.117 -0.492 . . . . 73.53 111.085 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.61 105.99 14.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 73.02 111.185 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 72.55 110.933 -179.915 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 83.1 m . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.766 0.317 . . . . 61.41 110.957 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 11.7 mtp85 -133.72 140.39 46.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 63.54 110.913 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 50.8 ttt180 -116.35 131.44 56.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 74.52 110.958 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -125.81 124.96 42.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.12 -0.491 . . . . 75.35 110.989 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 56.6 m -115.43 126.16 54.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.306 -0.406 . . . . 44.2 110.915 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -162.61 138.29 7.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.074 0.464 . . . . 74.23 110.868 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.4 mttm 51.95 40.73 28.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 70.03 110.867 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 63.39 34.91 12.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 74.15 110.893 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 44.4 ttp180 -129.68 102.78 6.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.248 -0.433 . . . . 71.44 110.881 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 94.9 m -112.35 129.54 56.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 72.23 110.914 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 6.5 m -145.23 151.22 15.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 73.53 111.067 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -114.49 110.85 20.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 73.02 111.177 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.218 -0.446 . . . . 72.55 110.906 -179.853 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 57.4 m . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.8 0.334 . . . . 61.41 110.91 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 26.0 ptt180 -142.59 142.72 32.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.137 -0.483 . . . . 63.54 110.824 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -117.76 132.85 56.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 74.52 110.847 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -127.33 125.4 40.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.094 -0.503 . . . . 75.35 110.834 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 60.1 m -116.51 126.78 53.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 44.2 110.833 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -163.19 138.15 6.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.133 -0.485 . . . . 74.23 110.88 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 63.7 mttm 52.14 40.5 28.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 70.03 110.9 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 51.9 mm-40 63.22 34.92 13.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 74.15 110.932 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 38.0 ttt180 -129.64 101.67 6.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.163 -0.471 . . . . 71.44 110.936 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 83.4 m -112.28 129.39 56.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.424 . . . . 72.23 110.835 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.3 m -145.23 151.31 15.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 73.53 111.167 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.99 112.13 22.79 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.209 -0.45 . . . . 73.02 111.14 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 72.55 110.911 -179.899 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 65.0 m . . . . . 0 CA--C 1.526 0.049 0 CA-C-O 120.839 0.352 . . . . 61.41 110.856 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 10.6 ptp180 -141.55 142.84 33.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 63.54 110.881 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 22.1 ttt180 -114.93 130.89 57.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.425 . . . . 74.52 110.825 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.5 mt -126.71 124.15 39.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 75.35 111.0 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 55.9 m -115.98 125.07 52.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 44.2 110.975 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -160.88 139.02 9.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 74.23 110.947 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 56.1 mtmt 52.11 40.61 28.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 70.03 110.937 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 43.2 mm-40 63.36 34.97 12.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.218 -0.446 . . . . 74.15 110.835 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.8 tpt180 -129.65 105.37 8.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.301 -0.409 . . . . 71.44 110.913 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 89.6 m -114.08 129.41 56.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 72.23 110.837 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 6.7 m -145.25 151.31 15.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 73.53 111.156 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.98 105.89 15.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.079 -0.509 . . . . 73.02 111.143 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.436 . . . . 72.55 110.998 -179.973 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 85.8 m . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.846 0.355 . . . . 61.41 110.836 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.0 ptp180 -142.44 139.64 31.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.111 -0.495 . . . . 63.54 110.854 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 28.4 ttt180 -113.13 126.46 55.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.146 -0.479 . . . . 74.52 110.903 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.8 mt -125.41 122.29 36.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 75.35 110.89 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 56.1 m -117.41 127.97 54.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 44.2 110.922 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -165.01 138.65 4.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.253 -0.43 . . . . 74.23 110.967 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 47.5 mttt 51.91 40.9 29.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 70.03 110.895 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 63.19 34.98 13.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 74.15 111.02 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 32.2 ttp180 -129.78 103.04 6.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.183 -0.462 . . . . 71.44 110.83 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 88.2 m -112.27 129.37 56.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.138 -0.483 . . . . 72.23 110.898 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.9 m -145.24 150.85 15.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 73.53 111.142 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.88 106.05 14.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 73.02 111.176 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 72.55 111.017 -179.942 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 63.3 m . . . . . 0 CA--C 1.527 0.091 0 CA-C-O 120.857 0.36 . . . . 61.41 110.886 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 22.7 ptt180 -138.31 133.78 33.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 63.54 110.896 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -112.2 130.79 55.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 74.52 110.934 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.2 mp -128.61 128.74 44.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.458 . . . . 75.35 110.913 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 58.0 m -120.59 127.99 52.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.486 . . . . 44.2 110.916 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -165.21 139.03 4.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 74.23 110.874 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 35.5 mtmt 52.15 40.04 27.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 70.03 110.827 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 63.26 35.04 12.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.305 -0.407 . . . . 74.15 110.928 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 41.5 ttt180 -129.72 101.88 6.09 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.132 -0.486 . . . . 71.44 110.872 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 90.7 m -112.38 130.18 56.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.299 -0.41 . . . . 72.23 110.873 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.2 m -145.09 151.26 15.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.489 . . . . 73.53 111.139 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.9 107.71 15.77 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.158 -0.473 . . . . 73.02 111.119 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.173 -0.467 . . . . 72.55 110.89 -179.943 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 94.3 m . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.797 0.332 . . . . 61.41 110.988 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -118.61 132.36 56.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 63.54 110.826 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 37.4 ttt85 -109.09 122.95 48.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 74.52 110.889 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.2 mt -123.17 120.87 34.47 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.216 -0.447 . . . . 75.35 110.939 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 59.2 m -116.97 126.4 52.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 44.2 110.85 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -163.81 138.43 5.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 74.23 110.89 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.4 mtpp 51.93 40.92 29.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 70.03 110.918 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 63.28 35.04 12.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 74.15 110.949 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 44.0 ttp180 -129.7 102.25 6.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 71.44 110.898 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 84.8 m -112.34 129.41 56.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 72.23 110.854 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.4 m -145.26 150.93 15.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 73.53 111.212 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.01 105.77 14.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 73.02 111.115 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.232 -0.44 . . . . 72.55 110.958 -179.99 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 58.4 m . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.79 0.329 . . . . 61.41 110.92 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.3 150.89 39.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 63.54 110.883 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 29.4 ttt85 -117.65 134.72 54.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 74.52 110.94 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -124.44 123.75 40.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.23 -0.441 . . . . 75.35 110.891 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 61.4 m -115.29 127.74 55.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 44.2 110.872 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -163.51 137.33 5.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.081 -0.509 . . . . 74.23 110.984 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 44.3 mtpt 52.03 40.84 29.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 70.03 110.884 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 63.38 34.89 12.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 74.15 110.895 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 32.2 ttt180 -129.71 101.63 5.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.261 -0.427 . . . . 71.44 110.887 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 74.6 m -112.32 129.41 56.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 72.23 110.813 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 6.6 m -145.34 150.9 15.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 73.53 111.074 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.72 111.18 21.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 73.02 111.131 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 72.55 110.946 -179.998 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 85.7 m . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.812 0.339 . . . . 61.41 110.993 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 7.0 mmt-85 -123.25 128.39 49.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.291 -0.413 . . . . 63.54 110.872 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 7.5 tpt180 -111.57 122.06 46.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 74.52 110.858 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -126.58 123.94 38.82 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.194 -0.457 . . . . 75.35 110.995 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 59.0 m -113.32 127.74 56.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.206 -0.452 . . . . 44.2 110.829 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -162.05 138.59 8.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 74.23 110.915 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 29.5 mtmm 51.91 40.74 28.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.073 -0.512 . . . . 70.03 110.978 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 63.25 34.91 12.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.143 -0.48 . . . . 74.15 111.006 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.8 tpt180 -129.69 106.35 8.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.463 . . . . 71.44 110.87 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 85.0 m -115.8 129.35 56.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 72.23 110.931 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.9 m -145.25 150.94 15.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 73.53 111.088 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.25 108.51 17.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 73.02 111.1 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.242 -0.436 . . . . 72.55 110.992 -179.973 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 71.0 m . . . . . 0 N--CA 1.457 -0.124 0 CA-C-O 120.779 0.323 . . . . 61.41 110.89 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 81.1 mtm-85 -130.24 130.88 45.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 63.54 110.922 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 33.9 ttp180 -111.61 128.19 55.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 74.52 110.792 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.8 mt -127.75 125.29 39.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.102 -0.499 . . . . 75.35 110.905 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 57.1 m -114.1 125.1 53.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.487 . . . . 44.2 110.886 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -159.51 139.11 11.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.17 -0.468 . . . . 74.23 110.91 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 42.9 mtpt 52.13 40.73 29.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 70.03 110.858 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 63.09 34.91 13.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 74.15 110.887 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.65 106.82 8.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 71.44 110.906 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 98.7 m -115.1 129.4 56.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.437 . . . . 72.23 110.944 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 6.9 m -145.27 151.28 15.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 73.53 111.151 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.01 105.46 15.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.273 -0.421 . . . . 73.02 111.159 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 72.55 110.969 -179.914 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 59.3 m . . . . . 0 C--O 1.233 0.193 0 CA-C-O 120.813 0.34 . . . . 61.41 110.921 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 5.9 ptp85 -148.7 145.82 27.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 63.54 110.894 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 30.3 ttm180 -111.38 132.13 54.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 74.52 110.916 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.5 mt -125.03 124.9 42.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 75.35 110.937 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 55.6 m -119.92 127.92 53.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.266 -0.425 . . . . 44.2 110.905 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -164.97 138.09 4.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 74.23 110.926 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 33.7 mtmm 51.98 40.97 29.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 70.03 110.849 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 20.8 mm100 63.3 34.95 12.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.279 -0.419 . . . . 74.15 110.9 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 21.8 ttt-85 -129.63 102.7 6.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 71.44 110.964 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 84.1 m -112.34 129.48 56.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 72.23 110.86 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.2 m -145.39 151.19 15.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.49 . . . . 73.53 111.149 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.9 106.95 15.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 73.02 111.199 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 72.55 110.813 -179.779 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 67.4 m . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.867 0.365 . . . . 61.41 110.837 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.512 ' NE ' HD11 ' A' ' 5' ' ' LEU . 0.3 OUTLIER -146.67 145.91 30.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 63.54 110.845 -179.934 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 49.2 ttt180 -114.43 132.97 56.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 74.52 110.922 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.512 HD11 ' NE ' ' A' ' 3' ' ' ARG . 4.4 mt -127.06 127.66 45.06 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.237 -0.438 . . . . 75.35 110.904 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 55.7 m -122.15 127.1 49.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.456 . . . . 44.2 110.906 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -163.65 138.31 6.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.499 . . . . 74.23 110.876 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 46.1 mtpt 51.88 40.86 28.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.118 -0.492 . . . . 70.03 110.926 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 6.9 mp0 63.42 34.95 12.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 74.15 110.905 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 19.8 ttp180 -129.73 103.21 6.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 71.44 110.957 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 84.1 m -112.32 129.4 56.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 72.23 110.864 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 8.3 m -145.31 151.01 15.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.473 . . . . 73.53 111.151 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.02 108.42 18.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.295 -0.411 . . . . 73.02 111.151 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 72.55 110.917 -179.955 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 59.2 m . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.807 0.337 . . . . 61.41 110.816 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 80.4 mtm-85 -122.87 137.94 54.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.13 -0.486 . . . . 63.54 110.945 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 35.0 ttp180 -111.91 128.67 56.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 74.52 110.898 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.0 mt -127.17 123.01 35.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 75.35 110.895 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 56.0 m -115.51 124.91 52.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 44.2 110.875 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -160.65 139.27 10.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 74.23 110.949 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.4 mtpp 51.92 40.63 28.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.495 . . . . 70.03 110.937 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 63.32 35.01 12.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 74.15 110.865 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.2 tpt180 -129.75 105.58 8.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 71.44 110.873 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 87.3 m -113.9 129.34 56.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 72.23 110.931 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 6.6 m -145.22 151.31 15.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 73.53 111.182 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.24 105.48 14.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 73.02 111.113 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 72.55 110.956 -179.943 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 76.8 m . . . . . 0 N--CA 1.457 -0.107 0 CA-C-O 120.848 0.356 . . . . 61.41 110.887 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 10.7 mtp85 -139.08 140.51 38.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 63.54 110.878 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.45 126.68 55.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 74.52 110.88 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.8 mt -122.41 122.76 39.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.158 -0.474 . . . . 75.35 110.934 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 57.8 m -118.26 127.65 53.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.464 . . . . 44.2 110.852 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -164.91 138.4 4.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 74.23 110.933 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.1 mtmp? 51.93 40.88 29.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 70.03 110.95 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 63.28 34.99 12.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 74.15 111.002 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -129.72 102.54 6.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 71.44 110.896 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 89.7 m -112.37 129.46 56.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 72.23 110.89 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.0 m -145.31 150.79 15.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 73.53 111.154 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.59 109.03 18.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 73.02 111.135 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 72.55 110.945 -179.974 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 78.1 m . . . . . 0 CA--C 1.527 0.07 0 CA-C-O 120.785 0.326 . . . . 61.41 110.903 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 23.4 mtp85 -144.68 141.71 29.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 63.54 110.87 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 25.6 ttm180 -115.08 130.4 56.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 74.52 110.837 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.4 mt -125.56 127.84 47.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 75.35 110.945 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 56.1 m -118.5 125.01 48.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 44.2 110.829 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -159.89 138.86 10.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.127 -0.488 . . . . 74.23 110.976 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 59.5 mtpt 51.92 40.79 28.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 70.03 110.874 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 63.29 34.89 12.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.194 -0.457 . . . . 74.15 110.973 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -129.74 106.12 8.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.153 -0.476 . . . . 71.44 110.918 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 93.7 m -114.44 129.43 56.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 72.23 110.866 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 6.8 m -145.32 151.47 15.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.106 -0.497 . . . . 73.53 111.081 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.36 107.98 18.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.201 -0.454 . . . . 73.02 111.155 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.437 . . . . 72.55 110.935 -179.927 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.708 0 CA-C-O 125.439 2.542 . . . . 74.31 106.407 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 98.7 m -130.99 158.52 40.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 111.613 -2.54 . . . . 61.41 110.872 -179.224 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 27.2 mtm180 -138.07 131.89 31.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 63.54 110.889 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 49.3 ttt180 -116.94 128.5 55.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 74.52 110.875 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -127.13 127.3 44.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 75.35 110.892 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 63.0 m -118.6 126.17 51.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 44.2 110.861 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -163.38 139.34 6.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 74.23 110.931 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 31.7 mttp 52.06 40.64 28.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 70.03 110.879 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 69.9 mm-40 63.2 35.03 12.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.268 -0.423 . . . . 74.15 110.914 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 29.7 ttt180 -129.59 102.32 6.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 71.44 110.904 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 99.1 m -112.45 130.57 55.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 72.23 110.878 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.5 m -144.17 151.14 16.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 73.53 111.105 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.46 106.99 14.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 73.02 111.185 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -100.33 122.67 43.47 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.258 -0.428 . . . . 72.55 110.916 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 62.1 m -118.51 163.27 17.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.077 -0.511 . . . . 63.31 110.871 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.5 ptt180 -52.89 144.28 15.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 75.31 110.86 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 148.59 -77.43 0.24 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.742 -0.742 . . . . 70.52 112.498 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 41.4 mtp180 -106.85 129.75 54.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.78 0.324 . . . . 71.21 110.908 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 15.33 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.508 -0.653 0 CA-C-O 125.348 2.499 . . . . 74.31 106.385 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 25.8 m -115.15 159.65 20.65 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 111.596 -2.547 . . . . 61.41 110.933 -179.284 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -120.78 127.4 51.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 63.54 110.935 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 67.5 ttt180 -106.29 125.4 50.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 74.52 110.883 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -126.94 135.16 50.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 75.35 110.933 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 63.4 m -123.36 125.92 45.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 44.2 110.911 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -160.28 137.55 9.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.459 . . . . 74.23 110.894 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 67.3 mttt 52.58 40.32 29.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.12 -0.491 . . . . 70.03 110.885 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 63.2 35.08 12.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 74.15 110.934 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 18.9 ttp180 -129.6 102.13 6.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 71.44 110.849 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 71.6 m -112.57 129.36 56.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.29 -0.413 . . . . 72.23 110.9 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 6.5 m -145.22 151.45 15.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 73.53 111.205 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.45 105.54 13.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 73.02 111.206 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -102.06 128.62 48.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 72.55 110.927 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.5 m -112.08 164.04 13.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.097 -0.501 . . . . 63.31 110.857 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 15.3 mmt180 -53.33 134.28 39.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 75.31 110.911 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 132.32 -107.25 0.7 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.754 -0.736 . . . . 70.52 112.522 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 45.1 mtt180 -57.0 138.51 54.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.823 0.344 . . . . 71.21 110.835 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 15.33 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.681 0 CA-C-O 125.449 2.547 . . . . 74.31 106.378 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 77.1 m -122.68 162.97 20.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 111.619 -2.537 . . . . 61.41 110.864 -179.226 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 10.7 mtt85 -132.72 130.65 40.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.487 . . . . 63.54 110.87 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 30.1 ttm180 -114.23 120.99 42.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 74.52 110.951 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -123.89 121.55 35.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 75.35 110.939 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 57.5 m -113.87 126.84 55.63 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.197 -0.456 . . . . 44.2 110.956 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -163.82 138.16 5.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.142 -0.481 . . . . 74.23 110.948 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.9 mtmp? 52.19 40.58 29.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 70.03 110.859 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 63.25 35.03 12.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.279 -0.419 . . . . 74.15 110.854 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 44.0 ttp180 -129.62 101.69 6.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 71.44 110.895 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 96.6 m -112.53 130.05 56.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 72.23 110.898 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.5 m -144.86 150.71 15.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 73.53 111.121 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.15 106.63 14.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 73.02 111.151 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -101.06 118.24 36.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 72.55 110.846 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 46.6 m -110.43 152.97 25.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.082 -0.508 . . . . 63.31 110.993 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -72.79 138.44 46.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 75.31 110.891 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 130.02 -174.71 19.44 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.759 -0.734 . . . . 70.52 112.479 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -70.63 112.15 6.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.789 0.328 . . . . 71.21 110.892 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 15.33 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.685 0 CA-C-O 125.364 2.507 . . . . 74.31 106.427 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 60.5 m -119.83 156.19 31.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 111.592 -2.549 . . . . 61.41 110.923 -179.166 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 17.8 mtp180 -138.67 142.45 39.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.173 -0.467 . . . . 63.54 110.893 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 24.3 ttp180 -116.45 134.69 54.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 74.52 110.861 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.5 mp -127.1 123.9 37.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 75.35 110.874 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 53.9 m -115.37 126.4 54.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.125 -0.488 . . . . 44.2 110.875 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -163.47 138.71 6.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 74.23 110.943 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 47.9 mtpt 52.17 40.59 29.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 70.03 110.868 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 63.28 35.07 12.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 74.15 110.898 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 47.6 ttt180 -129.68 102.34 6.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 71.44 110.83 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 94.4 m -112.25 129.6 56.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 72.23 110.885 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.1 m -145.39 151.3 15.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 73.53 111.178 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.94 109.76 18.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 73.02 111.16 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -110.11 128.49 55.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 72.55 110.901 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 69.0 m -108.44 151.38 26.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 63.31 110.869 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.7 mmm180 -56.21 145.28 26.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 75.31 110.848 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 101.03 -101.24 2.23 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.725 -0.75 . . . . 70.52 112.454 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -66.45 -67.41 0.45 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.833 0.349 . . . . 71.21 110.861 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 15.33 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.687 0 CA-C-O 125.444 2.545 . . . . 74.31 106.418 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 82.4 m -119.74 162.44 19.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 111.606 -2.543 . . . . 61.41 110.927 -179.243 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 14.9 mtp180 -134.43 145.72 49.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.293 -0.412 . . . . 63.54 110.841 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 21.2 ttp180 -117.24 127.94 54.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 74.52 110.956 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.4 mt -124.95 123.29 39.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 75.35 110.961 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 56.0 m -118.86 126.88 52.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.436 . . . . 44.2 110.907 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -163.95 138.71 5.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 74.23 110.97 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.8 mtmt 51.97 40.92 29.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 70.03 110.888 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 63.28 34.93 12.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.317 -0.402 . . . . 74.15 110.913 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 49.5 ttp180 -129.7 103.27 6.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.284 -0.416 . . . . 71.44 110.893 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 90.6 m -112.3 129.46 56.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 72.23 110.878 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.2 m -145.31 151.01 15.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 73.53 111.15 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.64 106.15 14.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.172 -0.467 . . . . 73.02 111.133 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -105.61 129.39 53.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 72.55 110.9 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 25.8 m -112.53 158.76 19.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 63.31 110.908 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -77.33 135.91 38.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 75.31 110.824 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -112.31 135.23 12.56 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.728 -0.749 . . . . 70.52 112.505 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 30.0 tpt180 -95.97 101.97 13.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.876 0.37 . . . . 71.21 110.793 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.162 -0.472 . . . . 15.33 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.506 -0.731 0 CA-C-O 125.392 2.52 . . . . 74.31 106.486 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 85.4 m -126.95 150.82 49.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 111.676 -2.511 . . . . 61.41 110.843 -179.226 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 14.3 ptt180 -130.03 146.86 51.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 63.54 110.812 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 33.5 ttp180 -116.11 129.06 56.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 74.52 110.904 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.4 mt -123.8 122.56 38.36 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.257 -0.429 . . . . 75.35 110.902 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 55.9 m -117.83 127.53 53.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 44.2 110.933 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -164.53 138.57 5.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 74.23 110.935 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 39.9 mtmt 52.02 40.81 29.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 70.03 110.918 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 41.3 mm-40 63.32 34.96 12.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 74.15 110.93 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.8 ttp180 -129.71 103.21 6.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 71.44 110.864 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 88.6 m -112.32 129.42 56.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 72.23 110.84 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.9 m -145.36 150.22 15.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.117 -0.492 . . . . 73.53 111.085 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.61 105.99 14.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 73.02 111.185 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -103.45 127.66 50.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 72.55 110.933 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 60.0 m -112.14 164.33 13.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.074 -0.512 . . . . 63.31 110.914 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.4 mmm180 -58.93 137.61 57.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 75.31 110.868 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 159.26 -88.27 0.11 Allowed Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.708 -0.758 . . . . 70.52 112.469 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.7 ttp180 -138.86 119.54 14.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.856 0.36 . . . . 71.21 110.799 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.097 -0.501 . . . . 15.33 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.693 0 CA-C-O 125.334 2.492 . . . . 74.31 106.415 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 83.1 m -117.26 147.52 42.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 111.658 -2.519 . . . . 61.41 110.957 -179.242 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 11.7 mtp85 -133.72 140.39 46.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 63.54 110.913 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 50.8 ttt180 -116.35 131.44 56.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 74.52 110.958 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -125.81 124.96 42.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.12 -0.491 . . . . 75.35 110.989 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 56.6 m -115.43 126.16 54.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.306 -0.406 . . . . 44.2 110.915 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -162.61 138.29 7.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.074 0.464 . . . . 74.23 110.868 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.4 mttm 51.95 40.73 28.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 70.03 110.867 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 63.39 34.91 12.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 74.15 110.893 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 44.4 ttp180 -129.68 102.78 6.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.248 -0.433 . . . . 71.44 110.881 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 94.9 m -112.35 129.54 56.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 72.23 110.914 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 6.5 m -145.23 151.22 15.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 73.53 111.067 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -114.49 110.85 20.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 73.02 111.177 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -108.57 124.06 49.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.218 -0.446 . . . . 72.55 110.906 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 74.5 m -107.4 150.94 26.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 63.31 110.845 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.2 ppt_? -58.48 153.29 16.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.114 -0.494 . . . . 75.31 110.943 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 132.53 -57.23 0.72 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.724 -0.751 . . . . 70.52 112.526 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 28.6 mmt85 -122.32 -175.47 3.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.814 0.34 . . . . 71.21 110.888 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.286 -0.416 . . . . 15.33 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.509 -0.626 0 CA-C-O 125.334 2.492 . . . . 74.31 106.41 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 57.4 m -116.12 165.72 12.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 111.632 -2.531 . . . . 61.41 110.91 -179.24 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 26.0 ptt180 -142.59 142.72 32.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.137 -0.483 . . . . 63.54 110.824 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -117.76 132.85 56.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 74.52 110.847 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -127.33 125.4 40.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.094 -0.503 . . . . 75.35 110.834 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 60.1 m -116.51 126.78 53.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 44.2 110.833 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -163.19 138.15 6.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.133 -0.485 . . . . 74.23 110.88 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 63.7 mttm 52.14 40.5 28.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 70.03 110.9 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 51.9 mm-40 63.22 34.92 13.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 74.15 110.932 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 38.0 ttt180 -129.64 101.67 6.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.163 -0.471 . . . . 71.44 110.936 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 83.4 m -112.28 129.39 56.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.424 . . . . 72.23 110.835 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.3 m -145.23 151.31 15.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 73.53 111.167 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.99 112.13 22.79 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.209 -0.45 . . . . 73.02 111.14 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -111.66 126.32 54.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 72.55 110.911 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 61.0 m -108.09 172.43 6.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.107 -0.497 . . . . 63.31 110.801 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -62.6 145.17 55.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 75.31 110.902 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -179.48 164.56 32.69 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.748 -0.739 . . . . 70.52 112.485 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.8 ptm180 -152.56 161.26 42.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.889 0.375 . . . . 71.21 110.864 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 15.33 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.685 0 CA-C-O 125.34 2.495 . . . . 74.31 106.435 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 65.0 m -120.05 162.98 18.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 111.622 -2.535 . . . . 61.41 110.856 -179.171 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 10.6 ptp180 -141.55 142.84 33.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 63.54 110.881 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 22.1 ttt180 -114.93 130.89 57.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.425 . . . . 74.52 110.825 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.5 mt -126.71 124.15 39.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 75.35 111.0 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 55.9 m -115.98 125.07 52.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 44.2 110.975 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -160.88 139.02 9.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 74.23 110.947 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 56.1 mtmt 52.11 40.61 28.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 70.03 110.937 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 43.2 mm-40 63.36 34.97 12.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.218 -0.446 . . . . 74.15 110.835 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.8 tpt180 -129.65 105.37 8.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.301 -0.409 . . . . 71.44 110.913 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 89.6 m -114.08 129.41 56.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 72.23 110.837 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 6.7 m -145.25 151.31 15.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 73.53 111.156 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.98 105.89 15.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.079 -0.509 . . . . 73.02 111.143 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -100.7 128.82 46.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.436 . . . . 72.55 110.998 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 62.6 m -115.35 162.34 17.26 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.17 -0.468 . . . . 63.31 110.912 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -64.69 144.09 57.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 75.31 110.804 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 163.08 -65.81 0.24 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.755 -0.736 . . . . 70.52 112.532 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 -118.86 -36.44 3.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.793 0.33 . . . . 71.21 110.849 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 15.33 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.684 0 CA-C-O 125.459 2.552 . . . . 74.31 106.403 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 85.8 m -115.63 168.94 9.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 111.635 -2.53 . . . . 61.41 110.836 -179.183 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.0 ptp180 -142.44 139.64 31.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.111 -0.495 . . . . 63.54 110.854 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 28.4 ttt180 -113.13 126.46 55.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.146 -0.479 . . . . 74.52 110.903 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.8 mt -125.41 122.29 36.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 75.35 110.89 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 56.1 m -117.41 127.97 54.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 44.2 110.922 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -165.01 138.65 4.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.253 -0.43 . . . . 74.23 110.967 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 47.5 mttt 51.91 40.9 29.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 70.03 110.895 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 63.19 34.98 13.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 74.15 111.02 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 32.2 ttp180 -129.78 103.04 6.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.183 -0.462 . . . . 71.44 110.83 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 88.2 m -112.27 129.37 56.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.138 -0.483 . . . . 72.23 110.898 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.9 m -145.24 150.85 15.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 73.53 111.142 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.88 106.05 14.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 73.02 111.176 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -99.86 125.04 45.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 72.55 111.017 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 56.2 m -114.49 171.04 7.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 63.31 110.942 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 21.0 ptt-85 -53.33 137.81 34.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 75.31 110.911 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -103.45 -61.94 0.69 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.706 -0.759 . . . . 70.52 112.497 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 17.4 ptt180 -114.4 56.7 0.72 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.911 0.386 . . . . 71.21 110.905 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.482 . . . . 15.33 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.506 -0.728 0 CA-C-O 125.422 2.534 . . . . 74.31 106.403 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 63.3 m -115.06 165.07 13.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 111.575 -2.557 . . . . 61.41 110.886 -179.263 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 22.7 ptt180 -138.31 133.78 33.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 63.54 110.896 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -112.2 130.79 55.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 74.52 110.934 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.2 mp -128.61 128.74 44.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.458 . . . . 75.35 110.913 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 58.0 m -120.59 127.99 52.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.486 . . . . 44.2 110.916 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -165.21 139.03 4.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 74.23 110.874 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 35.5 mtmt 52.15 40.04 27.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 70.03 110.827 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 63.26 35.04 12.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.305 -0.407 . . . . 74.15 110.928 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 41.5 ttt180 -129.72 101.88 6.09 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.132 -0.486 . . . . 71.44 110.872 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 90.7 m -112.38 130.18 56.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.299 -0.41 . . . . 72.23 110.873 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.2 m -145.09 151.26 15.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.489 . . . . 73.53 111.139 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.9 107.71 15.77 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.158 -0.473 . . . . 73.02 111.119 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -103.91 128.29 51.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.173 -0.467 . . . . 72.55 110.89 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 61.5 m -115.82 139.46 50.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.094 -0.503 . . . . 63.31 110.868 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 50.5 mtt180 -66.1 148.91 51.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 75.31 110.927 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -74.5 147.6 37.48 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.81 -0.71 . . . . 70.52 112.438 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -93.11 94.54 8.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.861 0.362 . . . . 71.21 110.901 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 15.33 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.703 0 CA-C-O 125.496 2.57 . . . . 74.31 106.384 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 94.3 m -135.94 145.26 46.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 111.627 -2.533 . . . . 61.41 110.988 -179.301 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -118.61 132.36 56.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 63.54 110.826 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 37.4 ttt85 -109.09 122.95 48.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 74.52 110.889 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.2 mt -123.17 120.87 34.47 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.216 -0.447 . . . . 75.35 110.939 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 59.2 m -116.97 126.4 52.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 44.2 110.85 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -163.81 138.43 5.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 74.23 110.89 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.4 mtpp 51.93 40.92 29.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 70.03 110.918 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 63.28 35.04 12.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 74.15 110.949 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 44.0 ttp180 -129.7 102.25 6.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 71.44 110.898 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 84.8 m -112.34 129.41 56.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 72.23 110.854 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.4 m -145.26 150.93 15.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 73.53 111.212 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.01 105.77 14.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 73.02 111.115 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -100.13 113.94 26.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.232 -0.44 . . . . 72.55 110.958 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 25.1 m -107.5 136.92 46.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.123 -0.489 . . . . 63.31 110.893 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -64.94 161.7 17.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.284 -0.416 . . . . 75.31 110.826 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -129.85 -82.94 0.3 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.666 -0.778 . . . . 70.52 112.49 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 15.0 ptp180 -96.41 177.49 5.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.85 0.357 . . . . 71.21 110.888 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 15.33 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.699 0 CA-C-O 125.443 2.544 . . . . 74.31 106.456 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 58.4 m -128.05 154.9 45.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 111.6 -2.545 . . . . 61.41 110.92 -179.174 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.3 150.89 39.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 63.54 110.883 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 29.4 ttt85 -117.65 134.72 54.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 74.52 110.94 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -124.44 123.75 40.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.23 -0.441 . . . . 75.35 110.891 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 61.4 m -115.29 127.74 55.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 44.2 110.872 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -163.51 137.33 5.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.081 -0.509 . . . . 74.23 110.984 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 44.3 mtpt 52.03 40.84 29.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 70.03 110.884 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 63.38 34.89 12.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 74.15 110.895 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 32.2 ttt180 -129.71 101.63 5.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.261 -0.427 . . . . 71.44 110.887 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 74.6 m -112.32 129.41 56.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 72.23 110.813 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 6.6 m -145.34 150.9 15.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 73.53 111.074 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.72 111.18 21.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 73.02 111.131 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -114.48 131.25 56.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 72.55 110.946 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 60.9 m -109.35 163.86 13.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 63.31 110.898 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -52.99 142.1 20.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.279 -0.419 . . . . 75.31 110.857 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 77.19 -168.49 54.65 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.779 -0.724 . . . . 70.52 112.455 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 42.0 mtm180 -104.04 70.38 0.99 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.868 0.366 . . . . 71.21 110.851 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 15.33 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.677 0 CA-C-O 125.402 2.525 . . . . 74.31 106.412 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 85.7 m -130.88 155.41 46.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 111.634 -2.53 . . . . 61.41 110.993 -179.235 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 7.0 mmt-85 -123.25 128.39 49.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.291 -0.413 . . . . 63.54 110.872 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 7.5 tpt180 -111.57 122.06 46.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 74.52 110.858 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -126.58 123.94 38.82 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.194 -0.457 . . . . 75.35 110.995 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 59.0 m -113.32 127.74 56.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.206 -0.452 . . . . 44.2 110.829 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -162.05 138.59 8.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 74.23 110.915 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 29.5 mtmm 51.91 40.74 28.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.073 -0.512 . . . . 70.03 110.978 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 63.25 34.91 12.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.143 -0.48 . . . . 74.15 111.006 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.8 tpt180 -129.69 106.35 8.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.463 . . . . 71.44 110.87 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 85.0 m -115.8 129.35 56.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 72.23 110.931 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.9 m -145.25 150.94 15.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 73.53 111.088 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.25 108.51 17.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 73.02 111.1 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -99.99 116.58 32.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.242 -0.436 . . . . 72.55 110.992 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 37.6 m -109.32 153.93 23.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 63.31 110.963 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.6 mpt_? -60.71 137.12 58.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 75.31 110.878 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 159.04 -107.13 0.31 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.713 -0.756 . . . . 70.52 112.494 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.3 tpt180 -137.33 146.19 44.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.683 0.278 . . . . 71.21 110.972 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 15.33 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.506 -0.749 0 CA-C-O 125.414 2.53 . . . . 74.31 106.441 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 71.0 m -118.62 157.79 26.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 111.706 -2.497 . . . . 61.41 110.89 -179.215 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 81.1 mtm-85 -130.24 130.88 45.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 63.54 110.922 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 33.9 ttp180 -111.61 128.19 55.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 74.52 110.792 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.8 mt -127.75 125.29 39.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.102 -0.499 . . . . 75.35 110.905 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 57.1 m -114.1 125.1 53.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.487 . . . . 44.2 110.886 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -159.51 139.11 11.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.17 -0.468 . . . . 74.23 110.91 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 42.9 mtpt 52.13 40.73 29.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 70.03 110.858 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 63.09 34.91 13.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 74.15 110.887 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.65 106.82 8.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 71.44 110.906 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 98.7 m -115.1 129.4 56.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.437 . . . . 72.23 110.944 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 6.9 m -145.27 151.28 15.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 73.53 111.151 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.01 105.46 15.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.273 -0.421 . . . . 73.02 111.159 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -99.02 116.39 31.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 72.55 110.969 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 34.9 m -110.58 156.26 21.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 63.31 110.843 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -77.97 144.21 36.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.14 -0.482 . . . . 75.31 110.844 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 133.51 152.05 6.71 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.776 -0.726 . . . . 70.52 112.5 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.7 mmm180 -121.76 -69.51 0.83 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.755 0.312 . . . . 71.21 110.857 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 15.33 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.506 -0.712 0 CA-C-O 125.374 2.511 . . . . 74.31 106.44 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 59.3 m -118.99 162.74 18.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 111.614 -2.539 . . . . 61.41 110.921 -179.257 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 5.9 ptp85 -148.7 145.82 27.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 63.54 110.894 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 30.3 ttm180 -111.38 132.13 54.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 74.52 110.916 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.5 mt -125.03 124.9 42.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 75.35 110.937 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 55.6 m -119.92 127.92 53.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.266 -0.425 . . . . 44.2 110.905 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -164.97 138.09 4.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 74.23 110.926 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 33.7 mtmm 51.98 40.97 29.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 70.03 110.849 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 20.8 mm100 63.3 34.95 12.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.279 -0.419 . . . . 74.15 110.9 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 21.8 ttt-85 -129.63 102.7 6.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 71.44 110.964 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 84.1 m -112.34 129.48 56.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 72.23 110.86 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.2 m -145.39 151.19 15.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.49 . . . . 73.53 111.149 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.9 106.95 15.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 73.02 111.199 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -106.92 129.78 54.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 72.55 110.813 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 66.5 m -110.72 138.08 47.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.482 . . . . 63.31 110.801 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 17.4 mtm180 -67.4 142.13 56.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 75.31 110.926 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -150.39 -162.95 10.89 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.723 -0.751 . . . . 70.52 112.478 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 78.2 mtt180 -78.16 -59.88 2.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.861 0.363 . . . . 71.21 110.896 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 15.33 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.68 0 CA-C-O 125.378 2.514 . . . . 74.31 106.466 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 67.4 m -116.38 165.5 13.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 111.604 -2.543 . . . . 61.41 110.837 -179.159 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.512 ' NE ' HD11 ' A' ' 5' ' ' LEU . 0.3 OUTLIER -146.67 145.91 30.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 63.54 110.845 -179.934 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 49.2 ttt180 -114.43 132.97 56.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 74.52 110.922 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.512 HD11 ' NE ' ' A' ' 3' ' ' ARG . 4.4 mt -127.06 127.66 45.06 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.237 -0.438 . . . . 75.35 110.904 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 55.7 m -122.15 127.1 49.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.456 . . . . 44.2 110.906 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -163.65 138.31 6.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.499 . . . . 74.23 110.876 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 46.1 mtpt 51.88 40.86 28.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.118 -0.492 . . . . 70.03 110.926 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 6.9 mp0 63.42 34.95 12.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 74.15 110.905 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 19.8 ttp180 -129.73 103.21 6.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 71.44 110.957 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 84.1 m -112.32 129.4 56.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 72.23 110.864 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 8.3 m -145.31 151.01 15.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.473 . . . . 73.53 111.151 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.02 108.42 18.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.295 -0.411 . . . . 73.02 111.151 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -107.84 128.71 54.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 72.55 110.917 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 59.9 m -110.17 124.33 51.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 63.31 110.85 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 38.8 mtm180 -52.26 137.97 27.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 75.31 110.887 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 154.62 -71.5 0.27 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.86 -0.686 . . . . 70.52 112.577 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 28.0 ttp180 -136.43 129.67 31.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.755 0.312 . . . . 71.21 110.904 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 15.33 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.506 -0.744 0 CA-C-O 125.373 2.511 . . . . 74.31 106.501 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 59.2 m -119.86 156.18 31.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 111.692 -2.504 . . . . 61.41 110.816 -179.19 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 80.4 mtm-85 -122.87 137.94 54.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.13 -0.486 . . . . 63.54 110.945 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 35.0 ttp180 -111.91 128.67 56.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 74.52 110.898 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.0 mt -127.17 123.01 35.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 75.35 110.895 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 56.0 m -115.51 124.91 52.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 44.2 110.875 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -160.65 139.27 10.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 74.23 110.949 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.4 mtpp 51.92 40.63 28.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.495 . . . . 70.03 110.937 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 63.32 35.01 12.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 74.15 110.865 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.2 tpt180 -129.75 105.58 8.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 71.44 110.873 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 87.3 m -113.9 129.34 56.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 72.23 110.931 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 6.6 m -145.22 151.31 15.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 73.53 111.182 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.24 105.48 14.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 73.02 111.113 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -98.97 125.34 44.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 72.55 110.956 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 36.1 m -112.35 161.86 16.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.458 . . . . 63.31 110.922 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.24 147.95 12.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 75.31 110.797 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -155.31 107.22 0.31 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.847 -0.692 . . . . 70.52 112.552 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 18.6 ttt-85 -122.55 -52.19 1.93 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.817 0.342 . . . . 71.21 110.844 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 15.33 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.687 0 CA-C-O 125.425 2.536 . . . . 74.31 106.41 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 76.8 m -121.81 158.3 29.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 111.624 -2.535 . . . . 61.41 110.887 -179.244 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 10.7 mtp85 -139.08 140.51 38.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 63.54 110.878 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.45 126.68 55.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 74.52 110.88 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.8 mt -122.41 122.76 39.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.158 -0.474 . . . . 75.35 110.934 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 57.8 m -118.26 127.65 53.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.464 . . . . 44.2 110.852 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -164.91 138.4 4.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 74.23 110.933 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.1 mtmp? 51.93 40.88 29.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 70.03 110.95 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 63.28 34.99 12.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 74.15 111.002 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -129.72 102.54 6.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 71.44 110.896 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 89.7 m -112.37 129.46 56.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 72.23 110.89 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.0 m -145.31 150.79 15.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 73.53 111.154 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.59 109.03 18.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 73.02 111.135 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -109.05 127.3 54.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 72.55 110.945 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 28.1 m -112.36 151.64 29.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.032 -0.531 . . . . 63.31 110.872 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 54.4 mmt-85 -61.75 134.97 57.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 75.31 110.876 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -179.68 -161.89 27.77 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.761 -0.733 . . . . 70.52 112.458 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 33.8 ttp85 -65.28 154.21 38.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.72 0.295 . . . . 71.21 110.92 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 15.33 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.506 -0.72 0 CA-C-O 125.455 2.55 . . . . 74.31 106.393 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 78.1 m -115.76 161.64 18.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 111.599 -2.546 . . . . 61.41 110.903 -179.226 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 23.4 mtp85 -144.68 141.71 29.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 63.54 110.87 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 25.6 ttm180 -115.08 130.4 56.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 74.52 110.837 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.4 mt -125.56 127.84 47.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 75.35 110.945 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 56.1 m -118.5 125.01 48.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 44.2 110.829 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -159.89 138.86 10.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.127 -0.488 . . . . 74.23 110.976 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 59.5 mtpt 51.92 40.79 28.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 70.03 110.874 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 63.29 34.89 12.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.194 -0.457 . . . . 74.15 110.973 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -129.74 106.12 8.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.153 -0.476 . . . . 71.44 110.918 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 93.7 m -114.44 129.43 56.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 72.23 110.866 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 6.8 m -145.32 151.47 15.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.106 -0.497 . . . . 73.53 111.081 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.36 107.98 18.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.201 -0.454 . . . . 73.02 111.155 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -105.63 126.26 51.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.437 . . . . 72.55 110.935 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 57.4 m -113.06 131.78 55.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.137 -0.483 . . . . 63.31 110.923 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 32.3 mtm180 -58.54 142.16 49.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 75.31 110.867 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -111.2 -109.56 3.13 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.72 -0.752 . . . . 70.52 112.463 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 14.1 mmt180 -82.43 99.94 9.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.819 0.343 . . . . 71.21 110.856 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 15.33 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 98.7 m . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.851 0.358 . . . . 61.41 110.872 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 27.2 mtm180 -138.07 131.89 31.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 63.54 110.889 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 49.3 ttt180 -116.94 128.5 55.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 74.52 110.875 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -127.13 127.3 44.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 75.35 110.892 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 63.0 m -118.6 126.17 51.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 44.2 110.861 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -163.38 139.34 6.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 74.23 110.931 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 31.7 mttp 52.06 40.64 28.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 70.03 110.879 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 69.9 mm-40 63.2 35.03 12.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.268 -0.423 . . . . 74.15 110.914 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 29.7 ttt180 -129.59 102.32 6.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 71.44 110.904 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 99.1 m -112.45 130.57 55.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 72.23 110.878 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.5 m -144.17 151.14 16.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 73.53 111.105 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.46 106.99 14.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 73.02 111.185 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 . . . . . 0 C--N 1.328 -0.37 0 CA-C-N 116.258 -0.428 . . . . 72.55 110.916 -179.926 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 25.8 m . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.864 0.364 . . . . 61.41 110.933 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -120.78 127.4 51.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 63.54 110.935 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 67.5 ttt180 -106.29 125.4 50.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 74.52 110.883 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -126.94 135.16 50.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 75.35 110.933 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 63.4 m -123.36 125.92 45.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 44.2 110.911 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -160.28 137.55 9.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.459 . . . . 74.23 110.894 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 67.3 mttt 52.58 40.32 29.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.12 -0.491 . . . . 70.03 110.885 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 63.2 35.08 12.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 74.15 110.934 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 18.9 ttp180 -129.6 102.13 6.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 71.44 110.849 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 71.6 m -112.57 129.36 56.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.29 -0.413 . . . . 72.23 110.9 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 6.5 m -145.22 151.45 15.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 73.53 111.205 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.45 105.54 13.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 73.02 111.206 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 72.55 110.927 -179.908 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 77.1 m . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.931 0.396 . . . . 61.41 110.864 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 10.7 mtt85 -132.72 130.65 40.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.487 . . . . 63.54 110.87 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 30.1 ttm180 -114.23 120.99 42.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 74.52 110.951 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -123.89 121.55 35.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 75.35 110.939 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 57.5 m -113.87 126.84 55.63 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.197 -0.456 . . . . 44.2 110.956 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -163.82 138.16 5.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.142 -0.481 . . . . 74.23 110.948 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.9 mtmp? 52.19 40.58 29.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 70.03 110.859 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 63.25 35.03 12.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.279 -0.419 . . . . 74.15 110.854 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 44.0 ttp180 -129.62 101.69 6.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 71.44 110.895 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 96.6 m -112.53 130.05 56.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 72.23 110.898 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.5 m -144.86 150.71 15.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 73.53 111.121 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.15 106.63 14.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 73.02 111.151 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 72.55 110.846 -179.859 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 60.5 m . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.707 0.289 . . . . 61.41 110.923 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 17.8 mtp180 -138.67 142.45 39.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.173 -0.467 . . . . 63.54 110.893 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 24.3 ttp180 -116.45 134.69 54.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 74.52 110.861 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.5 mp -127.1 123.9 37.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 75.35 110.874 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 53.9 m -115.37 126.4 54.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.125 -0.488 . . . . 44.2 110.875 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -163.47 138.71 6.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 74.23 110.943 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 47.9 mtpt 52.17 40.59 29.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 70.03 110.868 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 63.28 35.07 12.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 74.15 110.898 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 47.6 ttt180 -129.68 102.34 6.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 71.44 110.83 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 94.4 m -112.25 129.6 56.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 72.23 110.885 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.1 m -145.39 151.3 15.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 73.53 111.178 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.94 109.76 18.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 73.02 111.16 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 72.55 110.901 -179.907 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 82.4 m . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.771 0.319 . . . . 61.41 110.927 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 14.9 mtp180 -134.43 145.72 49.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.293 -0.412 . . . . 63.54 110.841 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 21.2 ttp180 -117.24 127.94 54.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 74.52 110.956 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.4 mt -124.95 123.29 39.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 75.35 110.961 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 56.0 m -118.86 126.88 52.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.436 . . . . 44.2 110.907 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -163.95 138.71 5.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 74.23 110.97 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.8 mtmt 51.97 40.92 29.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 70.03 110.888 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 63.28 34.93 12.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.317 -0.402 . . . . 74.15 110.913 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 49.5 ttp180 -129.7 103.27 6.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.284 -0.416 . . . . 71.44 110.893 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 90.6 m -112.3 129.46 56.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 72.23 110.878 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.2 m -145.31 151.01 15.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 73.53 111.15 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.64 106.15 14.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.172 -0.467 . . . . 73.02 111.133 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 72.55 110.9 -179.964 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 85.4 m . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.892 0.377 . . . . 61.41 110.843 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 14.3 ptt180 -130.03 146.86 51.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 63.54 110.812 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 33.5 ttp180 -116.11 129.06 56.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 74.52 110.904 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.4 mt -123.8 122.56 38.36 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.257 -0.429 . . . . 75.35 110.902 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 55.9 m -117.83 127.53 53.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 44.2 110.933 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -164.53 138.57 5.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 74.23 110.935 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 39.9 mtmt 52.02 40.81 29.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 70.03 110.918 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 41.3 mm-40 63.32 34.96 12.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 74.15 110.93 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.8 ttp180 -129.71 103.21 6.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 71.44 110.864 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 88.6 m -112.32 129.42 56.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 72.23 110.84 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.9 m -145.36 150.22 15.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.117 -0.492 . . . . 73.53 111.085 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.61 105.99 14.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 73.02 111.185 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 72.55 110.933 -179.915 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 83.1 m . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.766 0.317 . . . . 61.41 110.957 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 11.7 mtp85 -133.72 140.39 46.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 63.54 110.913 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 50.8 ttt180 -116.35 131.44 56.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 74.52 110.958 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -125.81 124.96 42.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.12 -0.491 . . . . 75.35 110.989 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 56.6 m -115.43 126.16 54.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.306 -0.406 . . . . 44.2 110.915 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -162.61 138.29 7.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.074 0.464 . . . . 74.23 110.868 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.4 mttm 51.95 40.73 28.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 70.03 110.867 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 63.39 34.91 12.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 74.15 110.893 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 44.4 ttp180 -129.68 102.78 6.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.248 -0.433 . . . . 71.44 110.881 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 94.9 m -112.35 129.54 56.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 72.23 110.914 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 6.5 m -145.23 151.22 15.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 73.53 111.067 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -114.49 110.85 20.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 73.02 111.177 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.218 -0.446 . . . . 72.55 110.906 -179.853 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 57.4 m . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.8 0.334 . . . . 61.41 110.91 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 26.0 ptt180 -142.59 142.72 32.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.137 -0.483 . . . . 63.54 110.824 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -117.76 132.85 56.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 74.52 110.847 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -127.33 125.4 40.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.094 -0.503 . . . . 75.35 110.834 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 60.1 m -116.51 126.78 53.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 44.2 110.833 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -163.19 138.15 6.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.133 -0.485 . . . . 74.23 110.88 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 63.7 mttm 52.14 40.5 28.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 70.03 110.9 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 51.9 mm-40 63.22 34.92 13.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 74.15 110.932 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 38.0 ttt180 -129.64 101.67 6.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.163 -0.471 . . . . 71.44 110.936 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 83.4 m -112.28 129.39 56.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.424 . . . . 72.23 110.835 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.3 m -145.23 151.31 15.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 73.53 111.167 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.99 112.13 22.79 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.209 -0.45 . . . . 73.02 111.14 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 72.55 110.911 -179.899 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 65.0 m . . . . . 0 CA--C 1.526 0.049 0 CA-C-O 120.839 0.352 . . . . 61.41 110.856 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 10.6 ptp180 -141.55 142.84 33.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 63.54 110.881 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 22.1 ttt180 -114.93 130.89 57.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.425 . . . . 74.52 110.825 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.5 mt -126.71 124.15 39.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 75.35 111.0 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 55.9 m -115.98 125.07 52.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 44.2 110.975 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -160.88 139.02 9.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 74.23 110.947 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 56.1 mtmt 52.11 40.61 28.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 70.03 110.937 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 43.2 mm-40 63.36 34.97 12.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.218 -0.446 . . . . 74.15 110.835 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.8 tpt180 -129.65 105.37 8.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.301 -0.409 . . . . 71.44 110.913 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 89.6 m -114.08 129.41 56.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 72.23 110.837 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 6.7 m -145.25 151.31 15.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 73.53 111.156 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.98 105.89 15.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.079 -0.509 . . . . 73.02 111.143 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.436 . . . . 72.55 110.998 -179.973 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 85.8 m . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.846 0.355 . . . . 61.41 110.836 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.0 ptp180 -142.44 139.64 31.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.111 -0.495 . . . . 63.54 110.854 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 28.4 ttt180 -113.13 126.46 55.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.146 -0.479 . . . . 74.52 110.903 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.8 mt -125.41 122.29 36.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 75.35 110.89 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 56.1 m -117.41 127.97 54.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 44.2 110.922 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -165.01 138.65 4.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.253 -0.43 . . . . 74.23 110.967 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 47.5 mttt 51.91 40.9 29.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 70.03 110.895 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 63.19 34.98 13.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 74.15 111.02 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 32.2 ttp180 -129.78 103.04 6.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.183 -0.462 . . . . 71.44 110.83 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 88.2 m -112.27 129.37 56.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.138 -0.483 . . . . 72.23 110.898 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.9 m -145.24 150.85 15.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 73.53 111.142 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.88 106.05 14.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 73.02 111.176 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 72.55 111.017 -179.942 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 63.3 m . . . . . 0 CA--C 1.527 0.091 0 CA-C-O 120.857 0.36 . . . . 61.41 110.886 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 22.7 ptt180 -138.31 133.78 33.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 63.54 110.896 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -112.2 130.79 55.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 74.52 110.934 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.2 mp -128.61 128.74 44.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.458 . . . . 75.35 110.913 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 58.0 m -120.59 127.99 52.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.486 . . . . 44.2 110.916 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -165.21 139.03 4.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 74.23 110.874 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 35.5 mtmt 52.15 40.04 27.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 70.03 110.827 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 63.26 35.04 12.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.305 -0.407 . . . . 74.15 110.928 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 41.5 ttt180 -129.72 101.88 6.09 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.132 -0.486 . . . . 71.44 110.872 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 90.7 m -112.38 130.18 56.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.299 -0.41 . . . . 72.23 110.873 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.2 m -145.09 151.26 15.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.489 . . . . 73.53 111.139 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.9 107.71 15.77 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.158 -0.473 . . . . 73.02 111.119 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.173 -0.467 . . . . 72.55 110.89 -179.943 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 94.3 m . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.797 0.332 . . . . 61.41 110.988 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -118.61 132.36 56.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 63.54 110.826 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 37.4 ttt85 -109.09 122.95 48.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 74.52 110.889 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.2 mt -123.17 120.87 34.47 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.216 -0.447 . . . . 75.35 110.939 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 59.2 m -116.97 126.4 52.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 44.2 110.85 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -163.81 138.43 5.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 74.23 110.89 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.4 mtpp 51.93 40.92 29.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 70.03 110.918 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 63.28 35.04 12.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 74.15 110.949 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 44.0 ttp180 -129.7 102.25 6.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 71.44 110.898 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 84.8 m -112.34 129.41 56.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 72.23 110.854 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.4 m -145.26 150.93 15.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 73.53 111.212 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.01 105.77 14.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 73.02 111.115 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.232 -0.44 . . . . 72.55 110.958 -179.99 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 58.4 m . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.79 0.329 . . . . 61.41 110.92 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.3 150.89 39.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 63.54 110.883 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 29.4 ttt85 -117.65 134.72 54.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 74.52 110.94 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -124.44 123.75 40.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.23 -0.441 . . . . 75.35 110.891 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 61.4 m -115.29 127.74 55.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 44.2 110.872 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -163.51 137.33 5.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.081 -0.509 . . . . 74.23 110.984 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 44.3 mtpt 52.03 40.84 29.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 70.03 110.884 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 63.38 34.89 12.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 74.15 110.895 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 32.2 ttt180 -129.71 101.63 5.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.261 -0.427 . . . . 71.44 110.887 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 74.6 m -112.32 129.41 56.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 72.23 110.813 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 6.6 m -145.34 150.9 15.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 73.53 111.074 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.72 111.18 21.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 73.02 111.131 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 72.55 110.946 -179.998 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 85.7 m . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.812 0.339 . . . . 61.41 110.993 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 7.0 mmt-85 -123.25 128.39 49.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.291 -0.413 . . . . 63.54 110.872 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 7.5 tpt180 -111.57 122.06 46.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 74.52 110.858 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -126.58 123.94 38.82 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.194 -0.457 . . . . 75.35 110.995 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 59.0 m -113.32 127.74 56.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.206 -0.452 . . . . 44.2 110.829 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -162.05 138.59 8.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 74.23 110.915 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 29.5 mtmm 51.91 40.74 28.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.073 -0.512 . . . . 70.03 110.978 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 63.25 34.91 12.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.143 -0.48 . . . . 74.15 111.006 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.8 tpt180 -129.69 106.35 8.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.463 . . . . 71.44 110.87 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 85.0 m -115.8 129.35 56.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 72.23 110.931 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.9 m -145.25 150.94 15.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 73.53 111.088 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.25 108.51 17.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 73.02 111.1 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.242 -0.436 . . . . 72.55 110.992 -179.973 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 71.0 m . . . . . 0 N--CA 1.457 -0.124 0 CA-C-O 120.779 0.323 . . . . 61.41 110.89 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 81.1 mtm-85 -130.24 130.88 45.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 63.54 110.922 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 33.9 ttp180 -111.61 128.19 55.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 74.52 110.792 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.8 mt -127.75 125.29 39.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.102 -0.499 . . . . 75.35 110.905 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 57.1 m -114.1 125.1 53.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.487 . . . . 44.2 110.886 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -159.51 139.11 11.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.17 -0.468 . . . . 74.23 110.91 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 42.9 mtpt 52.13 40.73 29.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 70.03 110.858 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 63.09 34.91 13.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 74.15 110.887 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.65 106.82 8.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 71.44 110.906 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 98.7 m -115.1 129.4 56.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.437 . . . . 72.23 110.944 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 6.9 m -145.27 151.28 15.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 73.53 111.151 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.01 105.46 15.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.273 -0.421 . . . . 73.02 111.159 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 72.55 110.969 -179.914 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 59.3 m . . . . . 0 C--O 1.233 0.193 0 CA-C-O 120.813 0.34 . . . . 61.41 110.921 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 5.9 ptp85 -148.7 145.82 27.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 63.54 110.894 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 30.3 ttm180 -111.38 132.13 54.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 74.52 110.916 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.5 mt -125.03 124.9 42.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 75.35 110.937 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 55.6 m -119.92 127.92 53.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.266 -0.425 . . . . 44.2 110.905 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -164.97 138.09 4.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 74.23 110.926 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 33.7 mtmm 51.98 40.97 29.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 70.03 110.849 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 20.8 mm100 63.3 34.95 12.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.279 -0.419 . . . . 74.15 110.9 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 21.8 ttt-85 -129.63 102.7 6.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 71.44 110.964 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 84.1 m -112.34 129.48 56.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 72.23 110.86 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.2 m -145.39 151.19 15.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.49 . . . . 73.53 111.149 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.9 106.95 15.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 73.02 111.199 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 72.55 110.813 -179.779 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 67.4 m . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.867 0.365 . . . . 61.41 110.837 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.512 ' NE ' HD11 ' A' ' 5' ' ' LEU . 0.3 OUTLIER -146.67 145.91 30.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 63.54 110.845 -179.934 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 49.2 ttt180 -114.43 132.97 56.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 74.52 110.922 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.512 HD11 ' NE ' ' A' ' 3' ' ' ARG . 4.4 mt -127.06 127.66 45.06 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.237 -0.438 . . . . 75.35 110.904 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 55.7 m -122.15 127.1 49.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.456 . . . . 44.2 110.906 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -163.65 138.31 6.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.499 . . . . 74.23 110.876 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 46.1 mtpt 51.88 40.86 28.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.118 -0.492 . . . . 70.03 110.926 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 6.9 mp0 63.42 34.95 12.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 74.15 110.905 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 19.8 ttp180 -129.73 103.21 6.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 71.44 110.957 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 84.1 m -112.32 129.4 56.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 72.23 110.864 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 8.3 m -145.31 151.01 15.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.473 . . . . 73.53 111.151 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.02 108.42 18.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.295 -0.411 . . . . 73.02 111.151 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 72.55 110.917 -179.955 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 59.2 m . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.807 0.337 . . . . 61.41 110.816 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 80.4 mtm-85 -122.87 137.94 54.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.13 -0.486 . . . . 63.54 110.945 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 35.0 ttp180 -111.91 128.67 56.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 74.52 110.898 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.0 mt -127.17 123.01 35.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 75.35 110.895 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 56.0 m -115.51 124.91 52.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 44.2 110.875 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -160.65 139.27 10.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 74.23 110.949 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.4 mtpp 51.92 40.63 28.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.495 . . . . 70.03 110.937 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 63.32 35.01 12.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 74.15 110.865 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.2 tpt180 -129.75 105.58 8.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 71.44 110.873 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 87.3 m -113.9 129.34 56.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 72.23 110.931 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 6.6 m -145.22 151.31 15.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 73.53 111.182 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.24 105.48 14.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 73.02 111.113 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 72.55 110.956 -179.943 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 76.8 m . . . . . 0 N--CA 1.457 -0.107 0 CA-C-O 120.848 0.356 . . . . 61.41 110.887 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 10.7 mtp85 -139.08 140.51 38.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 63.54 110.878 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.45 126.68 55.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 74.52 110.88 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.8 mt -122.41 122.76 39.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.158 -0.474 . . . . 75.35 110.934 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 57.8 m -118.26 127.65 53.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.464 . . . . 44.2 110.852 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -164.91 138.4 4.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 74.23 110.933 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.1 mtmp? 51.93 40.88 29.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 70.03 110.95 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 63.28 34.99 12.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 74.15 111.002 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -129.72 102.54 6.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 71.44 110.896 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 89.7 m -112.37 129.46 56.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 72.23 110.89 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.0 m -145.31 150.79 15.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 73.53 111.154 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.59 109.03 18.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 73.02 111.135 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 72.55 110.945 -179.974 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 78.1 m . . . . . 0 CA--C 1.527 0.07 0 CA-C-O 120.785 0.326 . . . . 61.41 110.903 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 23.4 mtp85 -144.68 141.71 29.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 63.54 110.87 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 25.6 ttm180 -115.08 130.4 56.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 74.52 110.837 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.4 mt -125.56 127.84 47.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 75.35 110.945 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 56.1 m -118.5 125.01 48.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 44.2 110.829 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -159.89 138.86 10.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.127 -0.488 . . . . 74.23 110.976 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 59.5 mtpt 51.92 40.79 28.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 70.03 110.874 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 63.29 34.89 12.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.194 -0.457 . . . . 74.15 110.973 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -129.74 106.12 8.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.153 -0.476 . . . . 71.44 110.918 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 93.7 m -114.44 129.43 56.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 72.23 110.866 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 6.8 m -145.32 151.47 15.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.106 -0.497 . . . . 73.53 111.081 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.36 107.98 18.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.201 -0.454 . . . . 73.02 111.155 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.437 . . . . 72.55 110.935 -179.927 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.708 0 CA-C-O 125.439 2.542 . . . . 74.31 106.407 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 98.7 m -130.99 158.52 40.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 111.613 -2.54 . . . . 61.41 110.872 -179.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 27.2 mtm180 -138.07 131.89 31.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 63.54 110.889 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 49.3 ttt180 -116.94 128.5 55.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 74.52 110.875 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -127.13 127.3 44.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 75.35 110.892 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 63.0 m -118.6 126.17 51.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 44.2 110.861 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -163.38 139.34 6.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 74.23 110.931 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 31.7 mttp 52.06 40.64 28.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 70.03 110.879 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 69.9 mm-40 63.2 35.03 12.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.268 -0.423 . . . . 74.15 110.914 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 29.7 ttt180 -129.59 102.32 6.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 71.44 110.904 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 99.1 m -112.45 130.57 55.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 72.23 110.878 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.5 m -144.17 151.14 16.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 73.53 111.105 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.46 106.99 14.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 73.02 111.185 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -100.33 122.67 43.47 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.258 -0.428 . . . . 72.55 110.916 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 62.1 m -118.51 163.27 17.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.077 -0.511 . . . . 63.31 110.871 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.5 ptt180 -52.89 144.28 15.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 75.31 110.86 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 148.59 -77.43 0.24 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.742 -0.742 . . . . 70.52 112.498 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 41.4 mtp180 -106.85 129.75 54.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.78 0.324 . . . . 71.21 110.908 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 15.33 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.508 -0.653 0 CA-C-O 125.348 2.499 . . . . 74.31 106.385 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 25.8 m -115.15 159.65 20.65 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 111.596 -2.547 . . . . 61.41 110.933 -179.284 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -120.78 127.4 51.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 63.54 110.935 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 67.5 ttt180 -106.29 125.4 50.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 74.52 110.883 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -126.94 135.16 50.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 75.35 110.933 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 63.4 m -123.36 125.92 45.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 44.2 110.911 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -160.28 137.55 9.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.459 . . . . 74.23 110.894 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 67.3 mttt 52.58 40.32 29.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.12 -0.491 . . . . 70.03 110.885 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 63.2 35.08 12.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 74.15 110.934 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 18.9 ttp180 -129.6 102.13 6.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 71.44 110.849 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 71.6 m -112.57 129.36 56.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.29 -0.413 . . . . 72.23 110.9 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 6.5 m -145.22 151.45 15.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 73.53 111.205 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.45 105.54 13.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 73.02 111.206 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -102.06 128.62 48.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 72.55 110.927 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.5 m -112.08 164.04 13.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.097 -0.501 . . . . 63.31 110.857 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 15.3 mmt180 -53.33 134.28 39.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 75.31 110.911 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 132.32 -107.25 0.7 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.754 -0.736 . . . . 70.52 112.522 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 45.1 mtt180 -57.0 138.51 54.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.823 0.344 . . . . 71.21 110.835 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 15.33 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.681 0 CA-C-O 125.449 2.547 . . . . 74.31 106.378 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 77.1 m -122.68 162.97 20.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 111.619 -2.537 . . . . 61.41 110.864 -179.226 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 10.7 mtt85 -132.72 130.65 40.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.487 . . . . 63.54 110.87 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 30.1 ttm180 -114.23 120.99 42.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 74.52 110.951 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -123.89 121.55 35.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 75.35 110.939 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 57.5 m -113.87 126.84 55.63 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.197 -0.456 . . . . 44.2 110.956 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -163.82 138.16 5.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.142 -0.481 . . . . 74.23 110.948 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.9 mtmp? 52.19 40.58 29.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 70.03 110.859 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 63.25 35.03 12.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.279 -0.419 . . . . 74.15 110.854 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 44.0 ttp180 -129.62 101.69 6.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 71.44 110.895 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 96.6 m -112.53 130.05 56.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 72.23 110.898 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.5 m -144.86 150.71 15.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 73.53 111.121 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.15 106.63 14.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 73.02 111.151 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -101.06 118.24 36.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 72.55 110.846 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 46.6 m -110.43 152.97 25.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.082 -0.508 . . . . 63.31 110.993 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -72.79 138.44 46.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 75.31 110.891 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 130.02 -174.71 19.44 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.759 -0.734 . . . . 70.52 112.479 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -70.63 112.15 6.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.789 0.328 . . . . 71.21 110.892 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 15.33 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.685 0 CA-C-O 125.364 2.507 . . . . 74.31 106.427 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 60.5 m -119.83 156.19 31.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 111.592 -2.549 . . . . 61.41 110.923 -179.166 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 17.8 mtp180 -138.67 142.45 39.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.173 -0.467 . . . . 63.54 110.893 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 24.3 ttp180 -116.45 134.69 54.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 74.52 110.861 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.5 mp -127.1 123.9 37.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 75.35 110.874 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 53.9 m -115.37 126.4 54.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.125 -0.488 . . . . 44.2 110.875 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -163.47 138.71 6.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 74.23 110.943 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 47.9 mtpt 52.17 40.59 29.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 70.03 110.868 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 63.28 35.07 12.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 74.15 110.898 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 47.6 ttt180 -129.68 102.34 6.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 71.44 110.83 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 94.4 m -112.25 129.6 56.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 72.23 110.885 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.1 m -145.39 151.3 15.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 73.53 111.178 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.94 109.76 18.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 73.02 111.16 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -110.11 128.49 55.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 72.55 110.901 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 69.0 m -108.44 151.38 26.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 63.31 110.869 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.7 mmm180 -56.21 145.28 26.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 75.31 110.848 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 101.03 -101.24 2.23 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.725 -0.75 . . . . 70.52 112.454 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -66.45 -67.41 0.45 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.833 0.349 . . . . 71.21 110.861 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 15.33 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.687 0 CA-C-O 125.444 2.545 . . . . 74.31 106.418 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 82.4 m -119.74 162.44 19.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 111.606 -2.543 . . . . 61.41 110.927 -179.243 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 14.9 mtp180 -134.43 145.72 49.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.293 -0.412 . . . . 63.54 110.841 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 21.2 ttp180 -117.24 127.94 54.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 74.52 110.956 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.4 mt -124.95 123.29 39.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 75.35 110.961 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 56.0 m -118.86 126.88 52.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.436 . . . . 44.2 110.907 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -163.95 138.71 5.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 74.23 110.97 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.8 mtmt 51.97 40.92 29.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 70.03 110.888 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 63.28 34.93 12.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.317 -0.402 . . . . 74.15 110.913 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 49.5 ttp180 -129.7 103.27 6.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.284 -0.416 . . . . 71.44 110.893 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 90.6 m -112.3 129.46 56.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 72.23 110.878 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.2 m -145.31 151.01 15.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 73.53 111.15 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.64 106.15 14.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.172 -0.467 . . . . 73.02 111.133 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -105.61 129.39 53.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 72.55 110.9 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 25.8 m -112.53 158.76 19.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 63.31 110.908 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -77.33 135.91 38.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 75.31 110.824 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -112.31 135.23 12.56 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.728 -0.749 . . . . 70.52 112.505 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 30.0 tpt180 -95.97 101.97 13.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.876 0.37 . . . . 71.21 110.793 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.162 -0.472 . . . . 15.33 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.506 -0.731 0 CA-C-O 125.392 2.52 . . . . 74.31 106.486 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 85.4 m -126.95 150.82 49.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 111.676 -2.511 . . . . 61.41 110.843 -179.226 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 14.3 ptt180 -130.03 146.86 51.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 63.54 110.812 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 33.5 ttp180 -116.11 129.06 56.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 74.52 110.904 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.4 mt -123.8 122.56 38.36 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.257 -0.429 . . . . 75.35 110.902 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 55.9 m -117.83 127.53 53.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 44.2 110.933 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -164.53 138.57 5.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 74.23 110.935 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 39.9 mtmt 52.02 40.81 29.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 70.03 110.918 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 41.3 mm-40 63.32 34.96 12.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 74.15 110.93 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.8 ttp180 -129.71 103.21 6.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 71.44 110.864 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 88.6 m -112.32 129.42 56.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 72.23 110.84 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.9 m -145.36 150.22 15.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.117 -0.492 . . . . 73.53 111.085 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.61 105.99 14.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 73.02 111.185 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -103.45 127.66 50.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 72.55 110.933 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 60.0 m -112.14 164.33 13.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.074 -0.512 . . . . 63.31 110.914 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.4 mmm180 -58.93 137.61 57.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 75.31 110.868 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 159.26 -88.27 0.11 Allowed Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.708 -0.758 . . . . 70.52 112.469 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.7 ttp180 -138.86 119.54 14.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.856 0.36 . . . . 71.21 110.799 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.097 -0.501 . . . . 15.33 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.693 0 CA-C-O 125.334 2.492 . . . . 74.31 106.415 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 83.1 m -117.26 147.52 42.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 111.658 -2.519 . . . . 61.41 110.957 -179.242 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 11.7 mtp85 -133.72 140.39 46.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 63.54 110.913 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 50.8 ttt180 -116.35 131.44 56.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 74.52 110.958 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -125.81 124.96 42.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.12 -0.491 . . . . 75.35 110.989 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 56.6 m -115.43 126.16 54.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.306 -0.406 . . . . 44.2 110.915 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -162.61 138.29 7.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.074 0.464 . . . . 74.23 110.868 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.4 mttm 51.95 40.73 28.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 70.03 110.867 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 63.39 34.91 12.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 74.15 110.893 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 44.4 ttp180 -129.68 102.78 6.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.248 -0.433 . . . . 71.44 110.881 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 94.9 m -112.35 129.54 56.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 72.23 110.914 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 6.5 m -145.23 151.22 15.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 73.53 111.067 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -114.49 110.85 20.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 73.02 111.177 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -108.57 124.06 49.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.218 -0.446 . . . . 72.55 110.906 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 74.5 m -107.4 150.94 26.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 63.31 110.845 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.2 ppt_? -58.48 153.29 16.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.114 -0.494 . . . . 75.31 110.943 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 132.53 -57.23 0.72 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.724 -0.751 . . . . 70.52 112.526 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 28.6 mmt85 -122.32 -175.47 3.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.814 0.34 . . . . 71.21 110.888 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.286 -0.416 . . . . 15.33 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.509 -0.626 0 CA-C-O 125.334 2.492 . . . . 74.31 106.41 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 57.4 m -116.12 165.72 12.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 111.632 -2.531 . . . . 61.41 110.91 -179.24 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 26.0 ptt180 -142.59 142.72 32.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.137 -0.483 . . . . 63.54 110.824 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -117.76 132.85 56.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 74.52 110.847 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -127.33 125.4 40.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.094 -0.503 . . . . 75.35 110.834 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 60.1 m -116.51 126.78 53.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 44.2 110.833 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -163.19 138.15 6.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.133 -0.485 . . . . 74.23 110.88 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 63.7 mttm 52.14 40.5 28.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 70.03 110.9 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 51.9 mm-40 63.22 34.92 13.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 74.15 110.932 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 38.0 ttt180 -129.64 101.67 6.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.163 -0.471 . . . . 71.44 110.936 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 83.4 m -112.28 129.39 56.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.424 . . . . 72.23 110.835 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.3 m -145.23 151.31 15.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 73.53 111.167 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.99 112.13 22.79 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.209 -0.45 . . . . 73.02 111.14 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -111.66 126.32 54.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 72.55 110.911 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 61.0 m -108.09 172.43 6.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.107 -0.497 . . . . 63.31 110.801 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -62.6 145.17 55.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 75.31 110.902 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -179.48 164.56 32.69 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.748 -0.739 . . . . 70.52 112.485 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.8 ptm180 -152.56 161.26 42.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.889 0.375 . . . . 71.21 110.864 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 15.33 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.685 0 CA-C-O 125.34 2.495 . . . . 74.31 106.435 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 65.0 m -120.05 162.98 18.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 111.622 -2.535 . . . . 61.41 110.856 -179.171 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 10.6 ptp180 -141.55 142.84 33.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 63.54 110.881 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 22.1 ttt180 -114.93 130.89 57.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.425 . . . . 74.52 110.825 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.5 mt -126.71 124.15 39.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 75.35 111.0 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 55.9 m -115.98 125.07 52.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 44.2 110.975 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -160.88 139.02 9.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 74.23 110.947 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 56.1 mtmt 52.11 40.61 28.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 70.03 110.937 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 43.2 mm-40 63.36 34.97 12.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.218 -0.446 . . . . 74.15 110.835 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.8 tpt180 -129.65 105.37 8.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.301 -0.409 . . . . 71.44 110.913 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 89.6 m -114.08 129.41 56.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 72.23 110.837 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 6.7 m -145.25 151.31 15.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 73.53 111.156 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.98 105.89 15.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.079 -0.509 . . . . 73.02 111.143 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -100.7 128.82 46.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.436 . . . . 72.55 110.998 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 62.6 m -115.35 162.34 17.26 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.17 -0.468 . . . . 63.31 110.912 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -64.69 144.09 57.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 75.31 110.804 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 163.08 -65.81 0.24 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.755 -0.736 . . . . 70.52 112.532 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 -118.86 -36.44 3.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.793 0.33 . . . . 71.21 110.849 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 15.33 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.684 0 CA-C-O 125.459 2.552 . . . . 74.31 106.403 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 85.8 m -115.63 168.94 9.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 111.635 -2.53 . . . . 61.41 110.836 -179.183 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.0 ptp180 -142.44 139.64 31.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.111 -0.495 . . . . 63.54 110.854 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 28.4 ttt180 -113.13 126.46 55.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.146 -0.479 . . . . 74.52 110.903 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.8 mt -125.41 122.29 36.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 75.35 110.89 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 56.1 m -117.41 127.97 54.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 44.2 110.922 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -165.01 138.65 4.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.253 -0.43 . . . . 74.23 110.967 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 47.5 mttt 51.91 40.9 29.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 70.03 110.895 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 63.19 34.98 13.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 74.15 111.02 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 32.2 ttp180 -129.78 103.04 6.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.183 -0.462 . . . . 71.44 110.83 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 88.2 m -112.27 129.37 56.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.138 -0.483 . . . . 72.23 110.898 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.9 m -145.24 150.85 15.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 73.53 111.142 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.88 106.05 14.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 73.02 111.176 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -99.86 125.04 45.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 72.55 111.017 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 56.2 m -114.49 171.04 7.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 63.31 110.942 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 21.0 ptt-85 -53.33 137.81 34.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 75.31 110.911 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -103.45 -61.94 0.69 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.706 -0.759 . . . . 70.52 112.497 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 17.4 ptt180 -114.4 56.7 0.72 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.911 0.386 . . . . 71.21 110.905 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.482 . . . . 15.33 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.506 -0.728 0 CA-C-O 125.422 2.534 . . . . 74.31 106.403 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 63.3 m -115.06 165.07 13.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 111.575 -2.557 . . . . 61.41 110.886 -179.263 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 22.7 ptt180 -138.31 133.78 33.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 63.54 110.896 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -112.2 130.79 55.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 74.52 110.934 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.2 mp -128.61 128.74 44.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.458 . . . . 75.35 110.913 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 58.0 m -120.59 127.99 52.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.486 . . . . 44.2 110.916 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -165.21 139.03 4.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 74.23 110.874 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 35.5 mtmt 52.15 40.04 27.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 70.03 110.827 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 63.26 35.04 12.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.305 -0.407 . . . . 74.15 110.928 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 41.5 ttt180 -129.72 101.88 6.09 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.132 -0.486 . . . . 71.44 110.872 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 90.7 m -112.38 130.18 56.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.299 -0.41 . . . . 72.23 110.873 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.2 m -145.09 151.26 15.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.489 . . . . 73.53 111.139 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.9 107.71 15.77 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.158 -0.473 . . . . 73.02 111.119 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -103.91 128.29 51.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.173 -0.467 . . . . 72.55 110.89 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 61.5 m -115.82 139.46 50.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.094 -0.503 . . . . 63.31 110.868 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 50.5 mtt180 -66.1 148.91 51.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 75.31 110.927 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -74.5 147.6 37.48 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.81 -0.71 . . . . 70.52 112.438 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -93.11 94.54 8.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.861 0.362 . . . . 71.21 110.901 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 15.33 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.703 0 CA-C-O 125.496 2.57 . . . . 74.31 106.384 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 94.3 m -135.94 145.26 46.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 111.627 -2.533 . . . . 61.41 110.988 -179.301 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -118.61 132.36 56.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 63.54 110.826 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 37.4 ttt85 -109.09 122.95 48.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 74.52 110.889 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.2 mt -123.17 120.87 34.47 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.216 -0.447 . . . . 75.35 110.939 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 59.2 m -116.97 126.4 52.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 44.2 110.85 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -163.81 138.43 5.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 74.23 110.89 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.4 mtpp 51.93 40.92 29.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 70.03 110.918 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 63.28 35.04 12.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 74.15 110.949 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 44.0 ttp180 -129.7 102.25 6.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 71.44 110.898 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 84.8 m -112.34 129.41 56.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 72.23 110.854 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.4 m -145.26 150.93 15.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 73.53 111.212 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.01 105.77 14.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 73.02 111.115 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -100.13 113.94 26.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.232 -0.44 . . . . 72.55 110.958 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 25.1 m -107.5 136.92 46.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.123 -0.489 . . . . 63.31 110.893 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -64.94 161.7 17.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.284 -0.416 . . . . 75.31 110.826 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -129.85 -82.94 0.3 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.666 -0.778 . . . . 70.52 112.49 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 15.0 ptp180 -96.41 177.49 5.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.85 0.357 . . . . 71.21 110.888 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 15.33 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.699 0 CA-C-O 125.443 2.544 . . . . 74.31 106.456 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 58.4 m -128.05 154.9 45.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 111.6 -2.545 . . . . 61.41 110.92 -179.174 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.3 150.89 39.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 63.54 110.883 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 29.4 ttt85 -117.65 134.72 54.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 74.52 110.94 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -124.44 123.75 40.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.23 -0.441 . . . . 75.35 110.891 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 61.4 m -115.29 127.74 55.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 44.2 110.872 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -163.51 137.33 5.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.081 -0.509 . . . . 74.23 110.984 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 44.3 mtpt 52.03 40.84 29.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 70.03 110.884 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 63.38 34.89 12.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 74.15 110.895 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 32.2 ttt180 -129.71 101.63 5.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.261 -0.427 . . . . 71.44 110.887 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 74.6 m -112.32 129.41 56.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 72.23 110.813 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 6.6 m -145.34 150.9 15.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 73.53 111.074 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.72 111.18 21.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 73.02 111.131 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -114.48 131.25 56.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 72.55 110.946 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 60.9 m -109.35 163.86 13.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 63.31 110.898 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -52.99 142.1 20.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.279 -0.419 . . . . 75.31 110.857 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 77.19 -168.49 54.65 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.779 -0.724 . . . . 70.52 112.455 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 42.0 mtm180 -104.04 70.38 0.99 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.868 0.366 . . . . 71.21 110.851 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 15.33 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.677 0 CA-C-O 125.402 2.525 . . . . 74.31 106.412 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 85.7 m -130.88 155.41 46.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 111.634 -2.53 . . . . 61.41 110.993 -179.235 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 7.0 mmt-85 -123.25 128.39 49.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.291 -0.413 . . . . 63.54 110.872 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 7.5 tpt180 -111.57 122.06 46.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 74.52 110.858 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -126.58 123.94 38.82 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.194 -0.457 . . . . 75.35 110.995 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 59.0 m -113.32 127.74 56.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.206 -0.452 . . . . 44.2 110.829 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -162.05 138.59 8.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 74.23 110.915 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 29.5 mtmm 51.91 40.74 28.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.073 -0.512 . . . . 70.03 110.978 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 63.25 34.91 12.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.143 -0.48 . . . . 74.15 111.006 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.8 tpt180 -129.69 106.35 8.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.463 . . . . 71.44 110.87 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 85.0 m -115.8 129.35 56.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 72.23 110.931 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.9 m -145.25 150.94 15.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 73.53 111.088 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.25 108.51 17.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 73.02 111.1 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -99.99 116.58 32.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.242 -0.436 . . . . 72.55 110.992 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 37.6 m -109.32 153.93 23.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 63.31 110.963 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.6 mpt_? -60.71 137.12 58.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 75.31 110.878 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 159.04 -107.13 0.31 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.713 -0.756 . . . . 70.52 112.494 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.3 tpt180 -137.33 146.19 44.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.683 0.278 . . . . 71.21 110.972 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 15.33 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.506 -0.749 0 CA-C-O 125.414 2.53 . . . . 74.31 106.441 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 71.0 m -118.62 157.79 26.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 111.706 -2.497 . . . . 61.41 110.89 -179.215 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 81.1 mtm-85 -130.24 130.88 45.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 63.54 110.922 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 33.9 ttp180 -111.61 128.19 55.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 74.52 110.792 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.8 mt -127.75 125.29 39.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.102 -0.499 . . . . 75.35 110.905 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 57.1 m -114.1 125.1 53.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.487 . . . . 44.2 110.886 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -159.51 139.11 11.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.17 -0.468 . . . . 74.23 110.91 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 42.9 mtpt 52.13 40.73 29.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 70.03 110.858 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 63.09 34.91 13.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 74.15 110.887 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.65 106.82 8.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 71.44 110.906 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 98.7 m -115.1 129.4 56.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.437 . . . . 72.23 110.944 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 6.9 m -145.27 151.28 15.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 73.53 111.151 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.01 105.46 15.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.273 -0.421 . . . . 73.02 111.159 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -99.02 116.39 31.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 72.55 110.969 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 34.9 m -110.58 156.26 21.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 63.31 110.843 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -77.97 144.21 36.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.14 -0.482 . . . . 75.31 110.844 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 133.51 152.05 6.71 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.776 -0.726 . . . . 70.52 112.5 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.7 mmm180 -121.76 -69.51 0.83 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.755 0.312 . . . . 71.21 110.857 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 15.33 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.506 -0.712 0 CA-C-O 125.374 2.511 . . . . 74.31 106.44 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 59.3 m -118.99 162.74 18.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 111.614 -2.539 . . . . 61.41 110.921 -179.257 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 5.9 ptp85 -148.7 145.82 27.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 63.54 110.894 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 30.3 ttm180 -111.38 132.13 54.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 74.52 110.916 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.5 mt -125.03 124.9 42.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 75.35 110.937 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 55.6 m -119.92 127.92 53.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.266 -0.425 . . . . 44.2 110.905 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -164.97 138.09 4.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 74.23 110.926 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 33.7 mtmm 51.98 40.97 29.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 70.03 110.849 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 20.8 mm100 63.3 34.95 12.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.279 -0.419 . . . . 74.15 110.9 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 21.8 ttt-85 -129.63 102.7 6.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 71.44 110.964 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 84.1 m -112.34 129.48 56.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 72.23 110.86 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.2 m -145.39 151.19 15.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.49 . . . . 73.53 111.149 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.9 106.95 15.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 73.02 111.199 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -106.92 129.78 54.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 72.55 110.813 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 66.5 m -110.72 138.08 47.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.482 . . . . 63.31 110.801 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 17.4 mtm180 -67.4 142.13 56.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 75.31 110.926 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -150.39 -162.95 10.89 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.723 -0.751 . . . . 70.52 112.478 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 78.2 mtt180 -78.16 -59.88 2.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.861 0.363 . . . . 71.21 110.896 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 15.33 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.68 0 CA-C-O 125.378 2.514 . . . . 74.31 106.466 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 67.4 m -116.38 165.5 13.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 111.604 -2.543 . . . . 61.41 110.837 -179.159 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.512 ' NE ' HD11 ' A' ' 5' ' ' LEU . 0.3 OUTLIER -146.67 145.91 30.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 63.54 110.845 -179.934 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 49.2 ttt180 -114.43 132.97 56.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 74.52 110.922 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.512 HD11 ' NE ' ' A' ' 3' ' ' ARG . 4.4 mt -127.06 127.66 45.06 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.237 -0.438 . . . . 75.35 110.904 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 55.7 m -122.15 127.1 49.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.456 . . . . 44.2 110.906 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -163.65 138.31 6.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.499 . . . . 74.23 110.876 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 46.1 mtpt 51.88 40.86 28.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.118 -0.492 . . . . 70.03 110.926 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 6.9 mp0 63.42 34.95 12.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 74.15 110.905 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 19.8 ttp180 -129.73 103.21 6.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 71.44 110.957 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 84.1 m -112.32 129.4 56.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 72.23 110.864 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 8.3 m -145.31 151.01 15.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.473 . . . . 73.53 111.151 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.02 108.42 18.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.295 -0.411 . . . . 73.02 111.151 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -107.84 128.71 54.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 72.55 110.917 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 59.9 m -110.17 124.33 51.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 63.31 110.85 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 38.8 mtm180 -52.26 137.97 27.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 75.31 110.887 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 154.62 -71.5 0.27 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.86 -0.686 . . . . 70.52 112.577 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 28.0 ttp180 -136.43 129.67 31.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.755 0.312 . . . . 71.21 110.904 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 15.33 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.506 -0.744 0 CA-C-O 125.373 2.511 . . . . 74.31 106.501 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 59.2 m -119.86 156.18 31.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 111.692 -2.504 . . . . 61.41 110.816 -179.19 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 80.4 mtm-85 -122.87 137.94 54.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.13 -0.486 . . . . 63.54 110.945 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 35.0 ttp180 -111.91 128.67 56.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 74.52 110.898 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.0 mt -127.17 123.01 35.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 75.35 110.895 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 56.0 m -115.51 124.91 52.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 44.2 110.875 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -160.65 139.27 10.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 74.23 110.949 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.4 mtpp 51.92 40.63 28.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.495 . . . . 70.03 110.937 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 63.32 35.01 12.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 74.15 110.865 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.2 tpt180 -129.75 105.58 8.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 71.44 110.873 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 87.3 m -113.9 129.34 56.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 72.23 110.931 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 6.6 m -145.22 151.31 15.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 73.53 111.182 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.24 105.48 14.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 73.02 111.113 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -98.97 125.34 44.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 72.55 110.956 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 36.1 m -112.35 161.86 16.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.458 . . . . 63.31 110.922 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.24 147.95 12.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 75.31 110.797 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -155.31 107.22 0.31 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.847 -0.692 . . . . 70.52 112.552 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 18.6 ttt-85 -122.55 -52.19 1.93 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.817 0.342 . . . . 71.21 110.844 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 15.33 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.687 0 CA-C-O 125.425 2.536 . . . . 74.31 106.41 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 76.8 m -121.81 158.3 29.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 111.624 -2.535 . . . . 61.41 110.887 -179.244 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 10.7 mtp85 -139.08 140.51 38.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 63.54 110.878 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.45 126.68 55.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 74.52 110.88 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.8 mt -122.41 122.76 39.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.158 -0.474 . . . . 75.35 110.934 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 57.8 m -118.26 127.65 53.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.464 . . . . 44.2 110.852 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -164.91 138.4 4.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 74.23 110.933 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.1 mtmp? 51.93 40.88 29.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 70.03 110.95 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 63.28 34.99 12.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 74.15 111.002 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -129.72 102.54 6.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 71.44 110.896 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 89.7 m -112.37 129.46 56.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 72.23 110.89 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.0 m -145.31 150.79 15.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 73.53 111.154 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.59 109.03 18.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 73.02 111.135 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -109.05 127.3 54.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 72.55 110.945 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 28.1 m -112.36 151.64 29.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.032 -0.531 . . . . 63.31 110.872 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 54.4 mmt-85 -61.75 134.97 57.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 75.31 110.876 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -179.68 -161.89 27.77 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.761 -0.733 . . . . 70.52 112.458 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 33.8 ttp85 -65.28 154.21 38.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.72 0.295 . . . . 71.21 110.92 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 15.33 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.506 -0.72 0 CA-C-O 125.455 2.55 . . . . 74.31 106.393 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 78.1 m -115.76 161.64 18.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 111.599 -2.546 . . . . 61.41 110.903 -179.226 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 23.4 mtp85 -144.68 141.71 29.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 63.54 110.87 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 25.6 ttm180 -115.08 130.4 56.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 74.52 110.837 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.4 mt -125.56 127.84 47.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 75.35 110.945 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 56.1 m -118.5 125.01 48.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 44.2 110.829 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -159.89 138.86 10.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.127 -0.488 . . . . 74.23 110.976 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 59.5 mtpt 51.92 40.79 28.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 70.03 110.874 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 63.29 34.89 12.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.194 -0.457 . . . . 74.15 110.973 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -129.74 106.12 8.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.153 -0.476 . . . . 71.44 110.918 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 93.7 m -114.44 129.43 56.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 72.23 110.866 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 6.8 m -145.32 151.47 15.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.106 -0.497 . . . . 73.53 111.081 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.36 107.98 18.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.201 -0.454 . . . . 73.02 111.155 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -105.63 126.26 51.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.437 . . . . 72.55 110.935 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 57.4 m -113.06 131.78 55.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.137 -0.483 . . . . 63.31 110.923 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 32.3 mtm180 -58.54 142.16 49.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 75.31 110.867 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -111.2 -109.56 3.13 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.72 -0.752 . . . . 70.52 112.463 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 14.1 mmt180 -82.43 99.94 9.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.819 0.343 . . . . 71.21 110.856 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 15.33 . . . . . . . . . . 0 0 . 1 stop_ save_