data_2elt_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2elt _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.525 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.138 0 CA-C-O 120.779 0.241 . . . . 0.0 112.395 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.525 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 54.2 m-85 -73.08 118.96 16.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? -118.73 150.07 40.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.865 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.4 t -81.41 132.26 56.17 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.65 0.738 . . . . 0.0 110.867 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -9.87 27.19 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.721 2.281 . . . . 0.0 112.355 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 -104.01 -66.56 0.95 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.429 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 16.8 p -104.58 -178.84 3.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 69.6 p -84.83 32.66 0.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.879 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.435 ' CD1' ' C ' ' A' ' 17' ' ' TYR . 4.0 t80 -79.46 122.38 26.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.923 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -125.16 138.54 54.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.111 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 17.0 t -137.45 151.12 48.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.874 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.04 -29.07 57.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.053 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 30.4 mt -105.15 137.39 34.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.131 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.495 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . 2.9 ttmm -63.14 -59.52 4.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.903 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -41.03 -41.11 1.6 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.073 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -55.42 -48.1 74.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 21.6 tp -62.61 -42.54 99.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 26.9 m-20 -48.61 -51.68 26.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.454 HG22 ' CZ ' ' A' ' 30' ' ' ARG . 93.2 t -64.65 -37.36 79.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.139 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 78.0 t60 -55.4 -39.64 70.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.822 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.502 ' O ' ' N ' ' A' ' 32' ' ' HIS . 8.4 mt -68.57 -41.54 79.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.454 ' CZ ' HG22 ' A' ' 27' ' ' VAL . 55.0 mtt180 -40.01 -25.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 29' ' ' LEU . 12.2 mtpt -91.54 -36.53 13.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.502 ' N ' ' O ' ' A' ' 29' ' ' LEU . 11.7 m-70 -60.87 -42.27 97.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.859 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.6 t . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.14 -179.884 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.51 ' HG2' ' CD2' ' A' ' 10' ' ' TYR . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.154 0 CA-C-O 120.767 0.236 . . . . 0.0 112.373 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.51 ' CD2' ' HG2' ' A' ' 9' ' ' PRO . 37.9 m-85 -75.56 121.77 22.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.918 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.42 ' HD3' ' C ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -126.11 150.02 48.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.917 179.916 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 35.4 t -80.44 132.01 60.03 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.68 0.752 . . . . 0.0 110.871 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -16.35 37.66 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.676 2.251 . . . . 0.0 112.33 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.2 mm-40 -96.29 -62.08 1.33 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.446 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 17.7 p -110.97 -177.04 3.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.873 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 59.9 m -85.15 30.26 0.61 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.847 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.446 ' CB ' ' SG ' ' A' ' 15' ' ' CYS . 5.4 t80 -80.73 120.52 24.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.895 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -128.55 137.86 51.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.056 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.0 t -132.34 121.19 23.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -44.62 -22.99 0.09 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.113 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 59.2 mt -109.32 150.61 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.0 tptp -73.29 -62.21 1.55 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -38.87 -42.74 0.87 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.131 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -55.46 -49.8 71.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 15.6 tp -62.3 -46.59 88.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -49.75 -48.11 50.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 80.9 t -68.77 -31.95 52.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.154 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.468 ' HA ' ' CE ' ' A' ' 31' ' ' LYS . 74.5 t60 -62.47 -31.56 72.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.836 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.502 ' O ' ' N ' ' A' ' 32' ' ' HIS . 7.8 mt -72.77 -38.6 67.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.931 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 74.3 mtp85 -39.87 -25.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.484 ' N ' ' O ' ' A' ' 29' ' ' LEU . 17.4 mtmt -90.48 -37.24 14.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.502 ' N ' ' O ' ' A' ' 29' ' ' LEU . 16.6 m-70 -61.07 -42.62 98.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.836 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.5 t . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.122 -179.914 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.535 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 54.0 Cg_endo . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.749 0.229 . . . . 0.0 112.346 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.535 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 55.5 m-85 -74.49 128.57 35.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.502 ' CD ' ' O ' ' A' ' 9' ' ' PRO . 2.5 mptt -121.84 150.14 42.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.877 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.8 t -83.38 129.95 58.4 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.619 0.723 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -3.69 12.51 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.678 2.252 . . . . 0.0 112.34 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -108.23 -65.31 1.13 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.894 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.404 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 20.6 p -107.13 -176.18 3.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 77.8 p -86.01 30.43 0.67 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.858 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.404 ' CB ' ' SG ' ' A' ' 15' ' ' CYS . 57.9 t80 -81.24 133.41 35.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.912 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -134.95 134.37 40.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.104 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.9 t -128.43 154.79 45.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.83 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -80.27 -25.11 39.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.12 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 22.2 mt -108.12 131.18 59.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.173 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.19 -46.0 83.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.77 -44.18 73.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.111 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -52.27 -49.46 64.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.884 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 18.0 tp -63.39 -49.17 74.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.958 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 49.3 m-20 -42.84 -48.25 5.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.454 ' HA ' ' NE ' ' A' ' 30' ' ' ARG . 93.9 t -68.09 -39.98 82.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.113 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 55.5 t60 -53.95 -32.71 54.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.826 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.501 ' O ' ' N ' ' A' ' 32' ' ' HIS . 8.2 mt -71.3 -41.25 70.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.454 ' NE ' ' HA ' ' A' ' 27' ' ' VAL . 32.1 mtt180 -39.93 -25.29 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 29' ' ' LEU . 23.4 mttp -90.69 -37.06 13.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.501 ' N ' ' O ' ' A' ' 29' ' ' LEU . 13.8 m-70 -60.68 -50.46 73.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.836 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.8 t . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.119 -179.892 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.482 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 52.9 Cg_endo . . . . . 0 C--O 1.232 0.203 0 CA-C-O 120.813 0.256 . . . . 0.0 112.31 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.482 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 68.1 m-85 -71.68 119.83 16.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.913 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -115.46 150.08 37.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.89 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 47.3 t -85.47 128.33 59.66 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.622 0.725 . . . . 0.0 110.889 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -7.96 22.4 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.621 2.214 . . . . 0.0 112.371 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.5 mm-40 -100.88 -62.77 1.2 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 24.8 p -111.84 -176.34 2.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.5 m -85.52 34.12 0.58 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.825 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 77.7 t80 -82.94 134.44 35.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.905 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -130.36 131.21 45.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.086 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.3 p -122.96 151.94 41.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -79.08 -34.7 43.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.116 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 41.2 mt -109.25 143.99 18.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.118 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.408 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . 9.1 tptm -60.61 -58.57 7.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.868 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -43.72 -39.25 3.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.089 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 63.8 t-20 -58.26 -41.78 85.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 13.5 tp -67.47 -46.44 73.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 25.1 m-20 -44.28 -50.21 9.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 96.9 t -64.8 -38.69 83.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.143 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 78.7 t60 -56.72 -39.4 73.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.839 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.504 ' O ' ' N ' ' A' ' 32' ' ' HIS . 8.4 mt -71.27 -42.64 68.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.909 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 68.1 mtp180 -40.29 -25.07 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.828 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.469 ' N ' ' O ' ' A' ' 29' ' ' LEU . 12.2 mttm -91.49 -36.09 13.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.504 ' N ' ' O ' ' A' ' 29' ' ' LEU . 12.7 m-70 -61.45 -32.84 72.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.7 t . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.115 -179.914 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.536 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 54.3 Cg_endo . . . . . 0 C--O 1.231 0.174 0 CA-C-O 120.814 0.256 . . . . 0.0 112.393 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.536 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 50.8 m-85 -68.52 127.82 34.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.942 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? -125.44 150.15 47.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.866 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.7 t -83.59 131.49 52.24 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.644 0.735 . . . . 0.0 110.853 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.81 -17.87 37.08 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.7 2.267 . . . . 0.0 112.3 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -93.97 -59.0 2.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.477 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 14.3 p -114.32 -176.62 2.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 39.4 m -86.67 31.8 0.67 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.86 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.477 ' CB ' ' SG ' ' A' ' 15' ' ' CYS . 10.1 t80 -82.68 121.27 26.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -126.08 140.61 52.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.088 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.8 t -132.93 159.73 39.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -82.65 -19.77 37.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.067 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 48.4 mt -115.04 134.23 58.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.112 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.409 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -54.65 -57.64 10.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 179.81 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -46.07 -49.07 16.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.073 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -48.02 -29.54 3.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.902 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 18.1 tp -83.97 -43.85 14.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.944 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.437 ' C ' ' ND2' ' A' ' 26' ' ' ASN . 0.1 OUTLIER -51.76 -39.91 59.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 179.896 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.402 HG23 ' ND2' ' A' ' 26' ' ' ASN . 40.8 t -74.26 -34.65 37.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.109 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 73.0 t60 -60.44 -33.95 73.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.867 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.5 ' O ' ' N ' ' A' ' 32' ' ' HIS . 8.3 mt -71.53 -41.61 68.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.964 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 24.9 mtp180 -39.91 -25.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 29' ' ' LEU . 27.9 mttp -90.8 -37.26 13.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.5 ' N ' ' O ' ' A' ' 29' ' ' LEU . 13.9 m-70 -59.59 -41.77 91.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.0 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.18 -179.935 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.504 ' HG2' ' CD2' ' A' ' 10' ' ' TYR . 53.2 Cg_endo . . . . . 0 C--O 1.231 0.157 0 CA-C-O 120.816 0.257 . . . . 0.0 112.303 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.504 ' CD2' ' HG2' ' A' ' 9' ' ' PRO . 26.8 m-85 -73.75 122.34 22.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.417 ' HD3' ' C ' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -123.19 150.15 43.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.892 179.879 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.2 t -82.16 127.11 72.78 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.624 0.726 . . . . 0.0 110.866 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -10.23 28.04 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.643 2.229 . . . . 0.0 112.356 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -100.19 -62.83 1.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.4 p -111.67 -175.6 2.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.3 t -85.62 36.42 0.65 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -85.75 121.01 27.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.977 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -127.02 133.64 50.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.117 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 30.3 t -132.55 156.81 46.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.85 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -89.91 16.69 7.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.077 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 65.5 mt -147.58 123.04 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.105 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.421 ' HB2' ' CE1' ' A' ' 10' ' ' TYR . 9.3 ttmt -54.28 -57.01 12.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -44.21 -45.53 8.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.129 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -55.61 -49.44 72.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 21.6 tp -60.61 -46.38 90.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 29.4 m-20 -45.2 -48.25 12.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 87.6 t -69.22 -36.12 71.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.093 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -57.66 -31.29 66.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.503 ' O ' ' N ' ' A' ' 32' ' ' HIS . 8.0 mt -74.83 -40.14 61.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 27.8 mtp180 -40.28 -25.07 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 29' ' ' LEU . 22.4 mttp -91.98 -35.65 13.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.503 ' N ' ' O ' ' A' ' 29' ' ' LEU . 13.6 m-70 -62.09 -31.89 72.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.855 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.331 -0.23 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.14 -179.919 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.562 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.189 0 CA-C-O 120.829 0.262 . . . . 0.0 112.333 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.562 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 40.7 m-85 -75.58 124.39 27.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.417 ' HD3' ' C ' ' A' ' 10' ' ' TYR . 1.6 mppt? -123.4 148.6 45.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.876 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 32.1 t -79.93 128.7 73.08 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.661 0.744 . . . . 0.0 110.86 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -9.19 25.51 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.654 2.236 . . . . 0.0 112.376 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -102.58 -60.25 1.57 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.929 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.446 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 15.9 p -113.23 -178.15 3.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.92 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.3 t -84.49 33.88 0.52 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.446 ' CB ' ' SG ' ' A' ' 15' ' ' CYS . 7.0 t80 -86.07 119.53 26.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -126.45 138.02 53.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.118 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.9 t -131.57 150.68 52.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.06 -24.6 63.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.116 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 24.2 mt -116.95 139.57 43.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.102 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.561 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . 14.1 ttmt -63.0 -59.94 4.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.442 ' C ' ' O ' ' A' ' 22' ' ' LYS . . . -34.54 -46.32 0.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.129 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -56.8 -47.97 79.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.917 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 22' ' ' LYS . 20.2 tp -61.52 -45.36 94.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -47.07 -48.28 22.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 91.5 t -67.57 -41.21 85.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.118 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 65.2 t60 -53.09 -33.3 51.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.824 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.5 ' O ' ' N ' ' A' ' 32' ' ' HIS . 7.8 mt -71.92 -41.31 68.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 74.0 mtt-85 -39.94 -25.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.872 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 29' ' ' LEU . 24.1 mttm -90.14 -37.53 14.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.5 ' N ' ' O ' ' A' ' 29' ' ' LEU . 12.7 m-70 -57.66 -51.91 67.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.873 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 12.0 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 -179.926 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.453 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.802 0.251 . . . . 0.0 112.341 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.556 ' CE2' ' HB2' ' A' ' 22' ' ' LYS . 74.7 m-85 -74.02 136.91 43.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.6 mptp? -131.6 149.76 52.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.905 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 36.1 t -86.14 123.85 71.13 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.619 0.723 . . . . 0.0 110.846 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -7.61 21.51 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.698 2.266 . . . . 0.0 112.3 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -101.17 -61.02 1.42 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.949 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.441 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 14.7 p -115.95 -175.05 2.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.5 t -84.31 33.6 0.5 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.448 ' CD1' ' C ' ' A' ' 17' ' ' TYR . 4.8 t80 -89.87 125.79 35.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.913 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -137.92 139.72 39.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.158 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.2 t -135.18 165.98 24.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.852 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -84.43 -24.56 29.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.135 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 44.3 mt -105.93 127.93 60.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.11 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.556 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . 39.7 tptt -58.56 -54.6 45.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -43.35 -44.74 5.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.119 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -56.17 -47.76 77.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 26.0 tp -62.98 -41.87 99.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -49.08 -53.93 18.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.858 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 94.1 t -62.95 -34.89 68.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.103 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 77.3 t60 -59.91 -37.43 79.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.846 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.501 ' O ' ' N ' ' A' ' 32' ' ' HIS . 8.2 mt -70.14 -40.57 74.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.946 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 36.2 mtt-85 -39.9 -25.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 29' ' ' LEU . 34.6 mttt -91.73 -36.62 13.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.501 ' N ' ' O ' ' A' ' 29' ' ' LEU . 14.2 m-70 -60.87 -43.55 98.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.84 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 12.1 t . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.147 -179.884 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.567 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 53.9 Cg_endo . . . . . 0 N--CA 1.466 -0.145 0 CA-C-O 120.858 0.274 . . . . 0.0 112.381 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.567 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 33.6 m-85 -74.39 121.99 22.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -121.95 146.33 47.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.908 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 17.4 t -73.67 128.44 86.96 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.658 0.742 . . . . 0.0 110.905 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -3.48 12.1 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.676 2.25 . . . . 0.0 112.3 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -110.46 -57.35 2.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.922 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.447 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 31.7 p -117.72 -175.2 2.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 17' ' ' TYR . 30.6 m -72.4 -17.58 61.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.83 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.74 ' CD2' ' CE1' ' A' ' 28' ' ' HIS . 4.2 t80 -34.42 127.73 0.45 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.944 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -140.04 144.0 36.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.082 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.6 t -138.39 142.18 39.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.72 -16.54 63.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.062 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 63.4 mt -116.52 132.74 65.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.137 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.5 tttt -57.38 -60.43 3.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -41.35 -44.53 2.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.133 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -55.39 -50.69 69.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 17.8 tp -60.94 -48.32 82.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.953 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 15.8 t30 -43.04 -51.27 5.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 87.7 t -62.72 -44.81 99.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.134 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.74 ' CE1' ' CD2' ' A' ' 17' ' ' TYR . 74.5 t60 -48.58 -38.27 20.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.496 ' O ' ' N ' ' A' ' 32' ' ' HIS . 8.1 mt -69.98 -43.78 70.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.972 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 33.4 mtp180 -39.86 -25.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.483 ' N ' ' O ' ' A' ' 29' ' ' LEU . 22.2 mttt -89.41 -38.32 14.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.898 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.496 ' N ' ' O ' ' A' ' 29' ' ' LEU . 17.8 m-70 -57.37 -39.36 75.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.8 t . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.132 -179.923 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.49 ' O ' ' CD ' ' A' ' 11' ' ' LYS . 54.5 Cg_endo . . . . . 0 C--O 1.231 0.153 0 CA-C-O 120.813 0.255 . . . . 0.0 112.348 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.474 ' CD2' ' HG2' ' A' ' 9' ' ' PRO . 52.8 m-85 -74.16 129.16 37.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.943 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.49 ' CD ' ' O ' ' A' ' 9' ' ' PRO . 3.8 mptt -118.78 149.97 40.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.87 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.7 t -85.81 133.72 40.95 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.631 0.729 . . . . 0.0 110.847 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -18.59 37.14 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.647 2.231 . . . . 0.0 112.369 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 35.4 mm-40 -92.55 -61.65 1.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.933 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 31.1 p -115.35 -176.58 2.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 31.5 t -84.79 29.59 0.61 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.846 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -79.01 120.7 23.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.958 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -125.34 130.28 51.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.112 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.4 t -119.88 157.74 28.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.827 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -89.51 9.88 24.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.107 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.417 ' HB ' ' CG ' ' A' ' 24' ' ' ASN . 14.4 mm -138.99 113.06 7.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.167 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.473 ' HB2' ' CE1' ' A' ' 10' ' ' TYR . 14.8 tptp -42.69 -36.22 1.36 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.31 -40.53 64.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.096 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.417 ' CG ' ' HB ' ' A' ' 21' ' ' ILE . 61.9 m-20 -54.71 -31.6 58.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 13.2 tp -77.48 -46.27 23.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.93 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 26.4 m-20 -47.51 -46.06 27.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 91.7 t -68.52 -37.59 77.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.131 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 68.5 t60 -55.03 -34.3 63.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.504 ' O ' ' N ' ' A' ' 32' ' ' HIS . 8.2 mt -72.27 -40.25 67.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 76.9 mtp85 -39.83 -25.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 29' ' ' LEU . 22.2 mttp -90.77 -37.13 13.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.504 ' N ' ' O ' ' A' ' 29' ' ' LEU . 12.1 m-70 -57.6 -44.91 85.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.842 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.0 t . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.123 -179.884 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.474 ' HG2' ' CD2' ' A' ' 10' ' ' TYR . 54.0 Cg_endo . . . . . 0 C--O 1.231 0.14 0 CA-C-O 120.772 0.238 . . . . 0.0 112.312 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.529 ' CE1' ' HB2' ' A' ' 22' ' ' LYS . 56.2 m-85 -71.85 127.8 33.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.926 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -124.12 150.05 45.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.91 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.0 t -84.69 123.87 73.72 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.572 0.701 . . . . 0.0 110.874 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -4.49 14.13 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.698 2.265 . . . . 0.0 112.342 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 34.0 mm-40 -104.84 -61.9 1.41 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 15.7 p -115.85 -175.23 2.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.94 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 71.5 p -84.15 34.69 0.51 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 20.8 t80 -86.66 120.99 28.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.918 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -120.06 138.59 53.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.134 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.6 t -132.35 154.08 50.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.876 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -86.8 -22.18 26.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.081 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 52.0 mt -115.29 123.83 71.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.109 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.529 ' HB2' ' CE1' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -49.11 -56.15 10.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 179.828 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -42.98 -47.17 5.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.14 179.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 65.9 m-20 -54.93 -51.53 65.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.906 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 18.4 tp -59.23 -45.83 90.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.942 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 32.3 m-20 -46.19 -46.87 17.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 97.6 t -69.41 -40.64 80.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.129 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -52.58 -31.16 34.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.501 ' O ' ' N ' ' A' ' 32' ' ' HIS . 7.9 mt -75.02 -40.15 60.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 65.7 mtp85 -39.95 -25.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 29' ' ' LEU . 22.5 mttt -91.32 -36.74 13.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.501 ' N ' ' O ' ' A' ' 29' ' ' LEU . 17.3 m-70 -60.12 -44.09 95.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.5 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.136 -179.939 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.56 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.17 0 CA-C-O 120.792 0.246 . . . . 0.0 112.347 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.566 ' CE2' ' HB2' ' A' ' 22' ' ' LYS . 35.0 m-85 -74.03 138.51 44.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -134.01 149.61 51.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.907 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.402 ' N ' ' O ' ' A' ' 17' ' ' TYR . 44.4 t -83.08 124.07 76.85 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.638 0.732 . . . . 0.0 110.854 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -11.52 30.99 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.661 2.241 . . . . 0.0 112.348 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -97.33 -61.7 1.36 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.895 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.426 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 14.9 p -114.98 -175.23 2.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 63.5 m -84.17 33.9 0.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.427 ' CD1' ' CD2' ' A' ' 28' ' ' HIS . 30.4 t80 -87.92 124.5 33.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.983 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -123.01 142.16 51.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.134 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 24.2 t -129.82 146.66 51.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.837 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.93 -22.67 52.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.1 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 30.3 mt -114.97 141.47 31.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.566 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . 13.6 tptm -60.05 -59.67 5.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -47.53 -42.84 24.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.071 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -52.35 -49.32 64.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.875 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 28.6 tp -62.37 -46.09 90.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.929 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 32.1 m-20 -43.73 -48.15 7.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 90.7 t -64.92 -41.09 91.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.114 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.427 ' CD2' ' CD1' ' A' ' 17' ' ' TYR . 83.1 t60 -54.21 -39.49 66.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.501 ' O ' ' N ' ' A' ' 32' ' ' HIS . 8.4 mt -69.73 -41.54 75.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.92 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 88.7 mtt180 -39.88 -25.38 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.905 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.474 ' N ' ' O ' ' A' ' 29' ' ' LEU . 21.6 mttm -92.43 -36.19 13.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.501 ' N ' ' O ' ' A' ' 29' ' ' LEU . 15.7 m-70 -61.12 -43.01 99.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.9 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.125 -179.877 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.56 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.156 0 CA-C-O 120.792 0.247 . . . . 0.0 112.331 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.56 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 27.4 m-85 -77.34 127.55 32.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.424 ' HD3' ' C ' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -129.01 149.92 50.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.864 179.886 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.3 t -82.16 125.38 77.17 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.637 0.732 . . . . 0.0 110.897 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -10.91 29.76 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.68 2.254 . . . . 0.0 112.325 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -97.28 -61.18 1.44 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.962 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.6 p -113.06 -176.26 2.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.1 m -85.5 33.71 0.57 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 31.6 t80 -84.25 119.01 24.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.937 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -115.04 132.67 56.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.11 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.0 p -124.61 147.16 48.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.899 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -81.02 -21.87 39.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.078 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 34.7 mt -115.94 146.49 20.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.129 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.475 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . 18.9 tptp -67.81 -51.6 46.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 179.807 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.84 -41.88 58.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -56.23 -45.88 79.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 22.2 tp -61.84 -51.86 66.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -40.69 -49.97 3.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.864 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 88.6 t -64.69 -42.3 94.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.1 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -53.16 -41.33 65.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.502 ' O ' ' N ' ' A' ' 32' ' ' HIS . 8.5 mt -67.6 -42.7 82.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.948 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 47.5 mtt180 -39.93 -25.38 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 29' ' ' LEU . 39.4 mttt -91.22 -36.84 13.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.842 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.502 ' N ' ' O ' ' A' ' 29' ' ' LEU . 14.4 m-70 -60.55 -45.94 92.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.843 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.2 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.098 -179.853 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.5 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.159 0 CA-C-O 120.854 0.272 . . . . 0.0 112.38 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.5 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 50.4 m-85 -76.38 138.03 40.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.928 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -133.51 148.75 51.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.905 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 37.3 t -80.74 123.74 82.25 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.603 0.716 . . . . 0.0 110.888 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -2.01 9.42 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.687 2.258 . . . . 0.0 112.37 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -109.87 -60.52 1.78 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.45 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 10.9 p -115.21 -175.27 2.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.7 t -84.98 35.81 0.59 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.842 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.45 ' CB ' ' SG ' ' A' ' 15' ' ' CYS . 5.9 t80 -90.93 129.64 36.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -133.66 142.11 47.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.124 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 t -139.54 122.9 17.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.825 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -48.1 -19.33 0.26 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.067 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.425 HG21 ' N ' ' A' ' 22' ' ' LYS . 50.9 mt -111.88 145.84 17.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.161 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.436 ' O ' ' N ' ' A' ' 25' ' ' LEU . 22.5 tptp -74.1 -65.63 0.82 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 22' ' ' LYS . . . -34.57 -42.44 0.15 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.076 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -58.8 -50.21 74.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' A' ' 22' ' ' LYS . 20.3 tp -56.94 -45.01 83.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.924 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.446 ' C ' ' OD1' ' A' ' 26' ' ' ASN . 3.2 t30 -48.48 -51.77 25.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 83.2 t -64.71 -40.63 89.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.111 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.42 ' CE1' ' CD2' ' A' ' 17' ' ' TYR . 73.6 t60 -52.09 -36.08 49.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.502 ' O ' ' N ' ' A' ' 32' ' ' HIS . 8.1 mt -72.44 -44.72 62.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.936 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 84.9 mtt180 -40.35 -24.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' A' ' 29' ' ' LEU . 40.5 mttt -89.11 -37.16 15.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.502 ' N ' ' O ' ' A' ' 29' ' ' LEU . 12.2 m-70 -56.37 -46.1 80.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.5 t . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.115 -179.899 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.531 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.154 0 CA-C-O 120.819 0.258 . . . . 0.0 112.326 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.531 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 54.2 m-85 -63.55 132.78 52.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.943 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -121.92 150.01 42.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.835 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.482 ' N ' ' O ' ' A' ' 17' ' ' TYR . 51.9 t -88.85 127.09 57.3 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.597 0.713 . . . . 0.0 110.91 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -19.09 36.46 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.633 2.222 . . . . 0.0 112.359 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.407 ' HB2' ' CD2' ' A' ' 32' ' ' HIS . 0.8 OUTLIER -87.08 -50.65 6.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.939 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.4 ' O ' ' O ' ' A' ' 12' ' ' CYS . 16.0 p -131.1 -174.89 3.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.0 t -83.75 35.86 0.53 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.852 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.482 ' O ' ' N ' ' A' ' 12' ' ' CYS . 3.8 t80 -91.67 128.62 37.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.928 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.416 ' CB ' ' O ' ' A' ' 10' ' ' TYR . . . -132.25 135.66 46.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.119 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.8 t -124.66 162.86 23.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -80.16 -26.76 39.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.119 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 32.5 mt -114.14 138.05 45.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.165 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -61.8 -56.22 21.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.88 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -39.54 -45.95 1.67 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.123 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -57.41 -47.58 81.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 20.8 tp -59.89 -48.5 81.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 12.6 t30 -43.21 -55.33 4.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 76.1 t -63.4 -44.46 98.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.097 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 68.2 t60 -47.94 -32.31 6.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.505 ' O ' ' N ' ' A' ' 32' ' ' HIS . 7.7 mt -75.35 -40.24 58.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.936 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 67.9 mtt180 -39.77 -25.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.479 ' N ' ' O ' ' A' ' 29' ' ' LEU . 46.2 mttt -88.16 -38.33 15.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.908 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.505 ' N ' ' O ' ' A' ' 29' ' ' LEU . 46.7 m-70 -64.39 -39.63 94.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.88 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.165 -179.927 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.569 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 53.9 Cg_endo . . . . . 0 N--CA 1.465 -0.166 0 CA-C-O 120.801 0.251 . . . . 0.0 112.347 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.569 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 41.2 m-85 -67.23 128.47 36.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.403 ' HD3' ' C ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -119.97 150.19 40.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.927 179.896 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.458 ' N ' ' O ' ' A' ' 17' ' ' TYR . 48.5 t -84.17 129.57 57.86 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.594 0.711 . . . . 0.0 110.9 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -13.61 34.9 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.666 2.244 . . . . 0.0 112.35 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 -97.74 -64.29 1.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.941 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.468 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 18.0 p -110.19 -174.91 2.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.881 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.7 m -84.64 27.37 0.73 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.801 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.468 ' CB ' ' SG ' ' A' ' 15' ' ' CYS . 11.0 t80 -82.54 125.32 31.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -129.36 131.2 46.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.112 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.9 p -115.63 162.82 16.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.8 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -88.37 -14.94 36.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.122 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 24.8 mt -126.1 133.28 69.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.174 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 41.7 tptt -54.65 -55.12 32.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -47.87 -41.05 23.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.098 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -59.77 -41.4 91.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 13.2 tp -67.06 -46.66 73.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 25.7 m-20 -46.09 -45.81 16.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 88.9 t -69.84 -38.59 76.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.137 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 70.3 t60 -57.59 -36.93 72.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.502 ' O ' ' N ' ' A' ' 32' ' ' HIS . 8.7 mt -72.43 -41.86 65.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.897 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 73.5 mtp85 -39.73 -25.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.837 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 29' ' ' LEU . 4.2 mtpm? -89.41 -38.13 14.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.502 ' N ' ' O ' ' A' ' 29' ' ' LEU . 18.5 m-70 -56.33 -49.47 74.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.0 t . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.15 -179.866 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.567 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.164 0 CA-C-O 120.772 0.238 . . . . 0.0 112.348 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.567 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 28.6 m-85 -86.7 124.45 32.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.414 ' HD3' ' C ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -122.67 150.11 43.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.874 179.943 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 46.7 t -87.21 127.69 58.21 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.616 0.722 . . . . 0.0 110.889 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -15.58 37.14 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.681 2.254 . . . . 0.0 112.347 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 22.5 mm-40 -91.38 -58.32 2.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.945 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.426 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 19.1 p -116.92 -175.79 2.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 47.7 m -85.19 29.35 0.66 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.856 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.426 ' CB ' ' SG ' ' A' ' 15' ' ' CYS . 8.3 t80 -78.37 120.58 23.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.922 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -127.73 125.29 39.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.097 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 18.7 t -124.05 158.4 32.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.834 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -92.63 19.51 7.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.127 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 80.6 mt -146.07 130.24 11.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.108 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.457 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . 30.7 tttt -61.5 -42.29 98.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.64 -43.96 85.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.086 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -57.72 -50.93 71.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 18.4 tp -58.53 -49.82 76.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -42.98 -62.68 0.96 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 88.7 t -55.63 -48.07 78.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.142 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 76.8 t60 -45.13 -33.36 2.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.504 ' O ' ' N ' ' A' ' 32' ' ' HIS . 8.3 mt -72.86 -47.5 45.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.93 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -40.02 -25.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.837 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.485 ' N ' ' O ' ' A' ' 29' ' ' LEU . 28.8 mttm -87.47 -38.29 16.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.903 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.504 ' N ' ' O ' ' A' ' 29' ' ' LEU . 12.4 m-70 -57.8 -43.7 85.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.8 t . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 -179.917 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.549 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.135 0 CA-C-O 120.831 0.263 . . . . 0.0 112.314 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.549 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 38.0 m-85 -70.5 132.74 45.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.955 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -129.55 149.71 51.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 34.5 t -81.44 125.41 78.82 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.652 0.739 . . . . 0.0 110.876 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -9.04 25.13 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.652 2.235 . . . . 0.0 112.36 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -101.68 -62.92 1.19 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.933 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.3 p -113.5 -174.95 2.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 31.3 m -83.93 35.0 0.51 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.851 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.487 ' CD2' ' CE1' ' A' ' 28' ' ' HIS . 5.2 t80 -85.7 121.81 28.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -120.44 146.18 46.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.112 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 27.2 t -139.63 147.44 41.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.857 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.84 -24.75 52.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.093 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 37.7 mt -115.34 141.86 30.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.157 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.416 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . 33.8 tptt -60.55 -62.29 1.97 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.845 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -40.02 -40.81 1.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.109 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -57.88 -48.37 80.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 20.7 tp -64.51 -44.03 92.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -48.86 -48.45 41.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.437 ' HA ' ' CD ' ' A' ' 30' ' ' ARG . 84.8 t -66.11 -36.27 77.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.164 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.487 ' CE1' ' CD2' ' A' ' 17' ' ' TYR . 78.0 t60 -58.94 -35.5 73.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.859 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.502 ' O ' ' N ' ' A' ' 32' ' ' HIS . 8.0 mt -71.66 -40.14 69.85 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.888 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.437 ' CD ' ' HA ' ' A' ' 27' ' ' VAL . 42.7 mtp85 -40.53 -24.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 29' ' ' LEU . 32.7 mttp -92.51 -35.31 13.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.85 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.502 ' N ' ' O ' ' A' ' 29' ' ' LEU . 12.9 m-70 -62.22 -35.19 78.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.854 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.3 t . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.162 -179.941 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.49 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.191 0 CA-C-O 120.771 0.238 . . . . 0.0 112.341 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.49 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 51.7 m-85 -68.61 136.11 52.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.953 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -133.44 148.58 51.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.3 t -84.74 122.79 74.67 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.656 0.741 . . . . 0.0 110.801 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -9.74 26.86 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.671 2.248 . . . . 0.0 112.34 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -97.94 -59.46 1.76 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.417 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 15.9 p -118.74 -175.58 2.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.4 t -84.18 33.88 0.5 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.829 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.417 ' CB ' ' SG ' ' A' ' 15' ' ' CYS . 9.9 t80 -87.24 120.87 28.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -116.63 146.94 42.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.079 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.6 p -137.48 152.71 49.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -83.79 -19.99 34.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.085 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 72.3 mt -123.91 144.52 33.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.168 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.463 ' O ' ' N ' ' A' ' 25' ' ' LEU . 26.6 tptp -63.14 -63.55 1.16 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 22' ' ' LYS . . . -36.37 -45.99 0.51 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.083 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -57.05 -43.89 82.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.869 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.463 ' N ' ' O ' ' A' ' 22' ' ' LYS . 18.1 tp -65.21 -46.52 80.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 33.1 m-20 -45.75 -46.65 15.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 86.9 t -67.37 -43.06 88.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.174 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 80.4 t60 -52.47 -40.75 62.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.859 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.504 ' O ' ' N ' ' A' ' 32' ' ' HIS . 8.3 mt -68.23 -42.83 79.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.915 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 55.3 mtt180 -39.87 -25.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' A' ' 29' ' ' LEU . 57.7 mttt -90.43 -37.18 14.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.504 ' N ' ' O ' ' A' ' 29' ' ' LEU . 15.2 m-70 -58.28 -42.79 87.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.848 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.402 ' O ' ' CG2' ' A' ' 33' ' ' THR . 9.0 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.169 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.558 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.168 0 CA-C-O 120.752 0.23 . . . . 0.0 112.349 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.558 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 42.1 m-85 -68.19 126.11 28.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.424 ' HD3' ' C ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -126.97 150.2 49.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.911 179.908 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.3 t -85.25 127.46 63.81 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.652 0.739 . . . . 0.0 110.896 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -3.49 12.13 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.648 2.232 . . . . 0.0 112.362 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 17.9 mm-40 -105.83 -61.6 1.48 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.936 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.418 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 20.6 p -110.33 -177.75 3.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 21.4 t -85.94 31.2 0.63 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.418 ' CB ' ' SG ' ' A' ' 15' ' ' CYS . 51.6 t80 -82.67 138.3 34.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -140.96 135.64 31.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.133 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 17.0 t -129.6 157.22 42.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.863 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -82.44 -22.82 35.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.114 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 49.7 mt -114.39 132.62 62.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.151 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.532 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . 11.7 tppt? -57.22 -57.56 12.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -40.29 -45.05 2.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.094 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -57.33 -48.87 77.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.884 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 20.5 tp -60.07 -47.7 84.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.957 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -45.72 -54.49 7.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 69.3 t -59.72 -43.43 91.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.127 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 65.1 t60 -51.37 -42.77 61.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.848 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.503 ' O ' ' N ' ' A' ' 32' ' ' HIS . 8.2 mt -65.57 -44.88 85.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 24.8 mtm180 -39.98 -25.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.83 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.484 ' N ' ' O ' ' A' ' 29' ' ' LEU . 10.5 mtpp -88.02 -38.15 15.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.888 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.503 ' N ' ' O ' ' A' ' 29' ' ' LEU . 12.8 m-70 -58.81 -46.61 87.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.797 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.401 ' O ' ' CG2' ' A' ' 33' ' ' THR . 9.6 t . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.18 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.494 -0.243 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.8 p -47.33 114.31 0.85 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.887 0.375 . . . . 0.0 110.872 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.3 t -167.16 146.84 5.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.843 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.3 158.77 5.06 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.483 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.7 m -120.03 106.94 12.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.871 0.367 . . . . 0.0 110.836 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.4 m -83.91 151.8 24.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.06 -82.12 0.18 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.472 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.47 ' HD2' ' CB ' ' A' ' 20' ' ' ALA . 36.1 mmtm -63.55 148.28 94.2 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.567 0.699 . . . . 0.0 110.914 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.525 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 53.9 Cg_endo -69.74 -47.05 1.02 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.642 2.228 . . . . 0.0 112.395 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.525 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 54.2 m-85 -73.08 118.96 16.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.464 ' CE ' ' O ' ' A' ' 8' ' ' LYS . 2.8 mptp? -118.73 150.07 40.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.865 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.4 t -81.41 132.26 56.17 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.65 0.738 . . . . 0.0 110.867 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -9.87 27.19 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.721 2.281 . . . . 0.0 112.355 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 -104.01 -66.56 0.95 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.429 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 16.8 p -104.58 -178.84 3.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 69.6 p -84.83 32.66 0.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.879 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.435 ' CD1' ' C ' ' A' ' 17' ' ' TYR . 4.0 t80 -79.46 122.38 26.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.923 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -125.16 138.54 54.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.111 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.409 ' C ' ' HB3' ' A' ' 8' ' ' LYS . 17.0 t -137.45 151.12 48.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.874 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.47 ' CB ' ' HD2' ' A' ' 8' ' ' LYS . . . -76.04 -29.07 57.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.053 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 30.4 mt -105.15 137.39 34.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.131 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.495 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . 2.9 ttmm -63.14 -59.52 4.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.903 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -41.03 -41.11 1.6 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.073 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -55.42 -48.1 74.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 21.6 tp -62.61 -42.54 99.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 26.9 m-20 -48.61 -51.68 26.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.454 HG22 ' CZ ' ' A' ' 30' ' ' ARG . 93.2 t -64.65 -37.36 79.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.139 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 78.0 t60 -55.4 -39.64 70.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.822 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.502 ' O ' ' N ' ' A' ' 32' ' ' HIS . 8.4 mt -68.57 -41.54 79.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.454 ' CZ ' HG22 ' A' ' 27' ' ' VAL . 55.0 mtt180 -40.01 -25.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 29' ' ' LEU . 12.2 mtpt -91.54 -36.53 13.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.502 ' N ' ' O ' ' A' ' 29' ' ' LEU . 11.7 m-70 -60.87 -42.27 97.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.859 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.6 t -86.86 40.11 0.89 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.14 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -165.32 130.97 2.27 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.456 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -156.99 164.8 37.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.921 0.391 . . . . 0.0 110.873 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 36.6 tptt . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.892 179.937 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.8 p -102.57 83.89 2.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.817 0.341 . . . . 0.0 110.868 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.5 t -133.02 -61.23 0.84 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.08 46.06 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.524 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.5 m -128.64 115.26 17.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.919 0.39 . . . . 0.0 110.846 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 84.1 p -129.34 -51.4 1.18 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.859 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 124.47 69.93 0.21 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.483 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.6 mttp -144.35 144.22 24.78 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.57 0.7 . . . . 0.0 110.894 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.51 ' HG2' ' CD2' ' A' ' 10' ' ' TYR . 54.1 Cg_endo -69.72 -48.74 0.66 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.68 2.253 . . . . 0.0 112.373 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.51 ' CD2' ' HG2' ' A' ' 9' ' ' PRO . 37.9 m-85 -75.56 121.77 22.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.918 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.42 ' HD3' ' C ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -126.11 150.02 48.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.917 179.916 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 35.4 t -80.44 132.01 60.03 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.68 0.752 . . . . 0.0 110.871 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -16.35 37.66 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.676 2.251 . . . . 0.0 112.33 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.2 mm-40 -96.29 -62.08 1.33 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.446 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 17.7 p -110.97 -177.04 3.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.873 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 59.9 m -85.15 30.26 0.61 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.847 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.446 ' CB ' ' SG ' ' A' ' 15' ' ' CYS . 5.4 t80 -80.73 120.52 24.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.895 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -128.55 137.86 51.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.056 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.0 t -132.34 121.19 23.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -44.62 -22.99 0.09 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.113 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 59.2 mt -109.32 150.61 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.0 tptp -73.29 -62.21 1.55 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -38.87 -42.74 0.87 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.131 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -55.46 -49.8 71.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 15.6 tp -62.3 -46.59 88.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -49.75 -48.11 50.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 80.9 t -68.77 -31.95 52.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.154 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.468 ' HA ' ' CE ' ' A' ' 31' ' ' LYS . 74.5 t60 -62.47 -31.56 72.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.836 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.502 ' O ' ' N ' ' A' ' 32' ' ' HIS . 7.8 mt -72.77 -38.6 67.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.931 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 74.3 mtp85 -39.87 -25.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.484 ' N ' ' O ' ' A' ' 29' ' ' LEU . 17.4 mtmt -90.48 -37.24 14.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.502 ' N ' ' O ' ' A' ' 29' ' ' LEU . 16.6 m-70 -61.07 -42.62 98.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.836 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.5 t -100.15 39.94 1.3 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.122 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -134.91 -80.66 0.13 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.503 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.3 tm-20 -79.47 118.89 21.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.944 0.402 . . . . 0.0 110.889 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.7 tptm . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.901 179.992 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.5 p -75.07 117.94 17.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.916 0.388 . . . . 0.0 110.854 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 t -110.69 85.32 2.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.39 128.62 5.96 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.509 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.4 m -102.62 88.96 3.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.862 0.363 . . . . 0.0 110.854 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.3 p -77.18 94.86 4.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.865 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.413 ' C ' ' HD2' ' A' ' 8' ' ' LYS . . . 178.49 31.39 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.467 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.468 ' HG2' ' N ' ' A' ' 20' ' ' ALA . 5.5 mptt -139.21 153.08 70.88 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.542 0.687 . . . . 0.0 110.949 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.535 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 54.0 Cg_endo -69.71 -46.01 1.4 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.686 2.257 . . . . 0.0 112.346 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.535 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 55.5 m-85 -74.49 128.57 35.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.502 ' CD ' ' O ' ' A' ' 9' ' ' PRO . 2.5 mptt -121.84 150.14 42.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.877 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.8 t -83.38 129.95 58.4 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.619 0.723 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -3.69 12.51 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.678 2.252 . . . . 0.0 112.34 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -108.23 -65.31 1.13 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.894 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.404 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 20.6 p -107.13 -176.18 3.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 77.8 p -86.01 30.43 0.67 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.858 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.404 ' CB ' ' SG ' ' A' ' 15' ' ' CYS . 57.9 t80 -81.24 133.41 35.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.912 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -134.95 134.37 40.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.104 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.9 t -128.43 154.79 45.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.83 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.468 ' N ' ' HG2' ' A' ' 8' ' ' LYS . . . -80.27 -25.11 39.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.12 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 22.2 mt -108.12 131.18 59.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.173 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.19 -46.0 83.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.77 -44.18 73.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.111 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -52.27 -49.46 64.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.884 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 18.0 tp -63.39 -49.17 74.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.958 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 49.3 m-20 -42.84 -48.25 5.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.454 ' HA ' ' NE ' ' A' ' 30' ' ' ARG . 93.9 t -68.09 -39.98 82.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.113 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 55.5 t60 -53.95 -32.71 54.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.826 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.501 ' O ' ' N ' ' A' ' 32' ' ' HIS . 8.2 mt -71.3 -41.25 70.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.454 ' NE ' ' HA ' ' A' ' 27' ' ' VAL . 32.1 mtt180 -39.93 -25.29 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 29' ' ' LEU . 23.4 mttp -90.69 -37.06 13.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.501 ' N ' ' O ' ' A' ' 29' ' ' LEU . 13.8 m-70 -60.68 -50.46 73.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.836 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.8 t -94.56 40.16 1.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.119 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -120.29 -58.89 0.24 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.508 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -130.6 144.67 51.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.911 0.386 . . . . 0.0 110.893 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.7 mmmt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 179.946 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 m -116.2 -46.1 2.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.905 0.384 . . . . 0.0 110.854 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.5 p -58.75 117.2 4.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -106.82 144.52 15.87 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.474 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 6' ' ' SER . 4.6 t -97.15 72.45 2.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.85 0.357 . . . . 0.0 110.862 -179.723 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 5' ' ' SER . 4.2 m 34.53 43.99 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.87 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.32 -52.2 1.01 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.527 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.468 ' HD2' ' CB ' ' A' ' 20' ' ' ALA . 23.1 mmtt -73.15 152.59 90.51 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.579 0.704 . . . . 0.0 110.905 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.482 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 52.9 Cg_endo -69.83 -48.17 0.76 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.679 2.252 . . . . 0.0 112.31 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.482 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 68.1 m-85 -71.68 119.83 16.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.913 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -115.46 150.08 37.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.89 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 47.3 t -85.47 128.33 59.66 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.622 0.725 . . . . 0.0 110.889 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -7.96 22.4 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.621 2.214 . . . . 0.0 112.371 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.5 mm-40 -100.88 -62.77 1.2 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 24.8 p -111.84 -176.34 2.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.5 m -85.52 34.12 0.58 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.825 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 77.7 t80 -82.94 134.44 35.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.905 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -130.36 131.21 45.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.086 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.3 p -122.96 151.94 41.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.468 ' CB ' ' HD2' ' A' ' 8' ' ' LYS . . . -79.08 -34.7 43.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.116 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 41.2 mt -109.25 143.99 18.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.118 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.408 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . 9.1 tptm -60.61 -58.57 7.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.868 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -43.72 -39.25 3.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.089 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 63.8 t-20 -58.26 -41.78 85.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 13.5 tp -67.47 -46.44 73.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 25.1 m-20 -44.28 -50.21 9.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 96.9 t -64.8 -38.69 83.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.143 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 78.7 t60 -56.72 -39.4 73.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.839 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.504 ' O ' ' N ' ' A' ' 32' ' ' HIS . 8.4 mt -71.27 -42.64 68.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.909 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 68.1 mtp180 -40.29 -25.07 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.828 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.469 ' N ' ' O ' ' A' ' 29' ' ' LEU . 12.2 mttm -91.49 -36.09 13.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.504 ' N ' ' O ' ' A' ' 29' ' ' LEU . 12.7 m-70 -61.45 -32.84 72.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.7 t -108.04 85.1 2.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.115 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 152.78 -62.83 0.38 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.526 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -74.09 132.28 42.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.914 0.388 . . . . 0.0 110.897 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 35.1 mttp . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 179.992 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.547 -0.221 . . . . 0.0 112.547 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.0 m -100.09 -50.96 3.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.891 0.377 . . . . 0.0 110.854 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.9 t -109.71 118.72 37.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.835 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.33 50.73 0.46 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.448 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.2 t -122.69 41.03 3.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.873 0.368 . . . . 0.0 110.882 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m -61.23 107.9 0.83 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.2 -51.8 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.496 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.42 ' HG2' ' C ' ' A' ' 19' ' ' SER . 9.4 mptt -82.74 143.28 46.58 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.641 0.734 . . . . 0.0 110.879 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.536 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 54.3 Cg_endo -69.72 -50.75 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.663 2.242 . . . . 0.0 112.393 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.536 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 50.8 m-85 -68.52 127.82 34.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.942 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? -125.44 150.15 47.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.866 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.7 t -83.59 131.49 52.24 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.644 0.735 . . . . 0.0 110.853 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.81 -17.87 37.08 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.7 2.267 . . . . 0.0 112.3 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -93.97 -59.0 2.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.477 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 14.3 p -114.32 -176.62 2.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 39.4 m -86.67 31.8 0.67 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.86 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.477 ' CB ' ' SG ' ' A' ' 15' ' ' CYS . 10.1 t80 -82.68 121.27 26.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -126.08 140.61 52.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.088 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.42 ' C ' ' HG2' ' A' ' 8' ' ' LYS . 1.8 t -132.93 159.73 39.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 -179.788 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -82.65 -19.77 37.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.067 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 48.4 mt -115.04 134.23 58.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.112 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.409 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -54.65 -57.64 10.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 179.81 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -46.07 -49.07 16.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.073 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -48.02 -29.54 3.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.902 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 18.1 tp -83.97 -43.85 14.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.944 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.437 ' C ' ' ND2' ' A' ' 26' ' ' ASN . 0.1 OUTLIER -51.76 -39.91 59.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 179.896 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.402 HG23 ' ND2' ' A' ' 26' ' ' ASN . 40.8 t -74.26 -34.65 37.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.109 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 73.0 t60 -60.44 -33.95 73.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.867 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.5 ' O ' ' N ' ' A' ' 32' ' ' HIS . 8.3 mt -71.53 -41.61 68.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.964 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 24.9 mtp180 -39.91 -25.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 29' ' ' LEU . 27.9 mttp -90.8 -37.26 13.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.5 ' N ' ' O ' ' A' ' 29' ' ' LEU . 13.9 m-70 -59.59 -41.77 91.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.0 t -86.12 145.57 26.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.18 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 35' ' ' GLU . . . 74.58 54.4 6.04 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.48 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 34' ' ' GLY . 69.0 mt-10 -34.54 133.8 0.24 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.896 0.379 . . . . 0.0 110.853 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.5 t -105.92 95.13 5.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.85 0.357 . . . . 0.0 110.883 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.8 p -172.13 140.38 1.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.828 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -122.04 -48.18 0.27 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.458 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.4 m -43.42 -47.08 6.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.889 0.376 . . . . 0.0 110.852 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.4 t -91.06 94.02 9.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.84 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.09 165.37 54.08 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.502 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.468 ' HG2' ' N ' ' A' ' 20' ' ' ALA . 6.4 mptt -86.67 143.97 36.63 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.625 0.726 . . . . 0.0 110.899 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.504 ' HG2' ' CD2' ' A' ' 10' ' ' TYR . 53.2 Cg_endo -69.8 -46.81 1.08 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.712 2.275 . . . . 0.0 112.303 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.504 ' CD2' ' HG2' ' A' ' 9' ' ' PRO . 26.8 m-85 -73.75 122.34 22.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.417 ' HD3' ' C ' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -123.19 150.15 43.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.892 179.879 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.2 t -82.16 127.11 72.78 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.624 0.726 . . . . 0.0 110.866 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -10.23 28.04 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.643 2.229 . . . . 0.0 112.356 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -100.19 -62.83 1.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.4 p -111.67 -175.6 2.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.3 t -85.62 36.42 0.65 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -85.75 121.01 27.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.977 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -127.02 133.64 50.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.117 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.401 ' C ' ' HG2' ' A' ' 8' ' ' LYS . 30.3 t -132.55 156.81 46.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.85 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.468 ' N ' ' HG2' ' A' ' 8' ' ' LYS . . . -89.91 16.69 7.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.077 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 65.5 mt -147.58 123.04 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.105 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.421 ' HB2' ' CE1' ' A' ' 10' ' ' TYR . 9.3 ttmt -54.28 -57.01 12.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -44.21 -45.53 8.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.129 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -55.61 -49.44 72.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 21.6 tp -60.61 -46.38 90.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 29.4 m-20 -45.2 -48.25 12.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 87.6 t -69.22 -36.12 71.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.093 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -57.66 -31.29 66.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.503 ' O ' ' N ' ' A' ' 32' ' ' HIS . 8.0 mt -74.83 -40.14 61.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 27.8 mtp180 -40.28 -25.07 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 29' ' ' LEU . 22.4 mttp -91.98 -35.65 13.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.503 ' N ' ' O ' ' A' ' 29' ' ' LEU . 13.6 m-70 -62.09 -31.89 72.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.855 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.8 t -113.11 75.6 0.93 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.14 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 105.18 -147.51 16.29 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.482 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -142.74 136.8 29.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.894 0.378 . . . . 0.0 110.882 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 19.2 mmtp . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.852 179.967 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.439 -0.265 . . . . 0.0 112.439 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.2 t -128.99 151.5 49.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.871 0.367 . . . . 0.0 110.928 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.7 m -122.3 166.09 15.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.83 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.66 46.74 2.44 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.486 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.2 t -98.53 -45.17 6.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.893 0.378 . . . . 0.0 110.892 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.6 m 50.3 43.48 26.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.887 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.34 -152.31 3.38 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.453 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.455 ' HD2' ' N ' ' A' ' 20' ' ' ALA . 30.8 mmtm -133.45 148.92 70.78 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.568 0.699 . . . . 0.0 110.919 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.562 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 53.8 Cg_endo -69.7 -47.43 0.95 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.719 2.28 . . . . 0.0 112.333 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.562 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 40.7 m-85 -75.58 124.39 27.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.417 ' HD3' ' C ' ' A' ' 10' ' ' TYR . 1.6 mppt? -123.4 148.6 45.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.876 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 32.1 t -79.93 128.7 73.08 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.661 0.744 . . . . 0.0 110.86 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -9.19 25.51 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.654 2.236 . . . . 0.0 112.376 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -102.58 -60.25 1.57 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.929 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.446 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 15.9 p -113.23 -178.15 3.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.92 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.3 t -84.49 33.88 0.52 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.446 ' CB ' ' SG ' ' A' ' 15' ' ' CYS . 7.0 t80 -86.07 119.53 26.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -126.45 138.02 53.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.118 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.9 t -131.57 150.68 52.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.455 ' N ' ' HD2' ' A' ' 8' ' ' LYS . . . -70.06 -24.6 63.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.116 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 24.2 mt -116.95 139.57 43.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.102 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.561 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . 14.1 ttmt -63.0 -59.94 4.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.442 ' C ' ' O ' ' A' ' 22' ' ' LYS . . . -34.54 -46.32 0.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.129 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -56.8 -47.97 79.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.917 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 22' ' ' LYS . 20.2 tp -61.52 -45.36 94.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -47.07 -48.28 22.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 91.5 t -67.57 -41.21 85.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.118 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 65.2 t60 -53.09 -33.3 51.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.824 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.5 ' O ' ' N ' ' A' ' 32' ' ' HIS . 7.8 mt -71.92 -41.31 68.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 74.0 mtt-85 -39.94 -25.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.872 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 29' ' ' LEU . 24.1 mttm -90.14 -37.53 14.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.5 ' N ' ' O ' ' A' ' 29' ' ' LEU . 12.7 m-70 -57.66 -51.91 67.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.873 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 12.0 t -84.04 130.66 34.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 140.5 54.59 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.472 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 41.43 42.73 1.97 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.943 0.401 . . . . 0.0 110.913 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.0 ttpt . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.94 179.948 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.466 -0.253 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.6 m -106.88 161.21 14.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.901 0.381 . . . . 0.0 110.834 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.7 p -118.85 85.0 2.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.87 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -104.67 146.0 16.08 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.502 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.1 p -118.36 147.1 43.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.927 0.394 . . . . 0.0 110.8 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.6 m -152.31 148.16 27.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.7 61.44 0.3 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.499 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.466 ' HD2' ' N ' ' A' ' 20' ' ' ALA . 17.7 mmtp -98.37 150.09 36.38 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.571 0.7 . . . . 0.0 110.912 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.453 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 53.8 Cg_endo -69.76 -48.2 0.77 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.7 2.267 . . . . 0.0 112.341 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.556 ' CE2' ' HB2' ' A' ' 22' ' ' LYS . 74.7 m-85 -74.02 136.91 43.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.6 mptp? -131.6 149.76 52.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.905 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 36.1 t -86.14 123.85 71.13 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.619 0.723 . . . . 0.0 110.846 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -7.61 21.51 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.698 2.266 . . . . 0.0 112.3 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -101.17 -61.02 1.42 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.949 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.441 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 14.7 p -115.95 -175.05 2.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.5 t -84.31 33.6 0.5 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.448 ' CD1' ' C ' ' A' ' 17' ' ' TYR . 4.8 t80 -89.87 125.79 35.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.913 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -137.92 139.72 39.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.158 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.2 t -135.18 165.98 24.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.852 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.466 ' N ' ' HD2' ' A' ' 8' ' ' LYS . . . -84.43 -24.56 29.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.135 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 44.3 mt -105.93 127.93 60.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.11 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.556 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . 39.7 tptt -58.56 -54.6 45.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -43.35 -44.74 5.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.119 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -56.17 -47.76 77.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 26.0 tp -62.98 -41.87 99.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -49.08 -53.93 18.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.858 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 94.1 t -62.95 -34.89 68.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.103 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 77.3 t60 -59.91 -37.43 79.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.846 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.501 ' O ' ' N ' ' A' ' 32' ' ' HIS . 8.2 mt -70.14 -40.57 74.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.946 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 36.2 mtt-85 -39.9 -25.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 29' ' ' LEU . 34.6 mttt -91.73 -36.62 13.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.501 ' N ' ' O ' ' A' ' 29' ' ' LEU . 14.2 m-70 -60.87 -43.55 98.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.84 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 12.1 t -105.65 141.69 36.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.147 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -170.69 -168.72 32.86 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.481 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -118.03 9.82 12.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.849 0.357 . . . . 0.0 110.848 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 23.3 tptp . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.873 179.979 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.9 t -38.45 131.77 1.19 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.864 0.364 . . . . 0.0 110.842 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.4 t 48.9 41.95 19.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.879 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -50.6 117.22 4.96 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.462 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.0 m -116.89 -51.45 2.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.818 0.342 . . . . 0.0 110.844 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 t -141.18 156.46 45.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.846 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.13 -105.56 0.19 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.51 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.413 ' HD3' ' C ' ' A' ' 18' ' ' ALA . 43.4 mttt -105.01 146.65 33.08 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.56 0.695 . . . . 0.0 110.942 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.567 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 53.9 Cg_endo -69.71 -50.51 0.46 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.704 2.269 . . . . 0.0 112.381 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.567 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 33.6 m-85 -74.39 121.99 22.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -121.95 146.33 47.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.908 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 17.4 t -73.67 128.44 86.96 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.658 0.742 . . . . 0.0 110.905 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -3.48 12.1 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.676 2.25 . . . . 0.0 112.3 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -110.46 -57.35 2.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.922 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.447 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 31.7 p -117.72 -175.2 2.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 17' ' ' TYR . 30.6 m -72.4 -17.58 61.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.83 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.74 ' CD2' ' CE1' ' A' ' 28' ' ' HIS . 4.2 t80 -34.42 127.73 0.45 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.944 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.413 ' C ' ' HD3' ' A' ' 8' ' ' LYS . . . -140.04 144.0 36.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.082 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.6 t -138.39 142.18 39.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.72 -16.54 63.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.062 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 63.4 mt -116.52 132.74 65.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.137 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.5 tttt -57.38 -60.43 3.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -41.35 -44.53 2.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.133 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -55.39 -50.69 69.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 17.8 tp -60.94 -48.32 82.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.953 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 15.8 t30 -43.04 -51.27 5.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 87.7 t -62.72 -44.81 99.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.134 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.74 ' CE1' ' CD2' ' A' ' 17' ' ' TYR . 74.5 t60 -48.58 -38.27 20.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.496 ' O ' ' N ' ' A' ' 32' ' ' HIS . 8.1 mt -69.98 -43.78 70.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.972 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 33.4 mtp180 -39.86 -25.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.483 ' N ' ' O ' ' A' ' 29' ' ' LEU . 22.2 mttt -89.41 -38.32 14.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.898 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.496 ' N ' ' O ' ' A' ' 29' ' ' LEU . 17.8 m-70 -57.37 -39.36 75.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.43 ' O ' ' C ' ' A' ' 34' ' ' GLY . 9.8 t -84.37 27.35 0.7 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.132 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.43 ' C ' ' O ' ' A' ' 33' ' ' THR . . . 34.84 -123.08 0.52 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.465 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.1 pm0 -116.58 176.91 4.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.953 0.406 . . . . 0.0 110.851 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.4 ttmm . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 179.936 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.4 m -62.92 92.8 0.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.898 0.38 . . . . 0.0 110.833 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.0 p -174.82 141.71 0.64 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.877 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 136.54 69.46 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.458 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 98.4 p -99.95 42.22 1.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.854 0.359 . . . . 0.0 110.88 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.4 p -160.47 140.84 11.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.891 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.08 64.27 0.37 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.492 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 30.6 mmtm -71.81 152.51 93.26 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.573 0.701 . . . . 0.0 110.9 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.49 ' O ' ' CD ' ' A' ' 11' ' ' LYS . 54.5 Cg_endo -69.73 -47.19 0.99 Allowed 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.746 2.298 . . . . 0.0 112.348 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.474 ' CD2' ' HG2' ' A' ' 9' ' ' PRO . 52.8 m-85 -74.16 129.16 37.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.943 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.49 ' CD ' ' O ' ' A' ' 9' ' ' PRO . 3.8 mptt -118.78 149.97 40.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.87 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.7 t -85.81 133.72 40.95 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.631 0.729 . . . . 0.0 110.847 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -18.59 37.14 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.647 2.231 . . . . 0.0 112.369 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 35.4 mm-40 -92.55 -61.65 1.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.933 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 31.1 p -115.35 -176.58 2.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 31.5 t -84.79 29.59 0.61 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.846 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -79.01 120.7 23.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.958 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -125.34 130.28 51.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.112 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.4 t -119.88 157.74 28.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.827 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -89.51 9.88 24.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.107 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.417 ' HB ' ' CG ' ' A' ' 24' ' ' ASN . 14.4 mm -138.99 113.06 7.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.167 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.473 ' HB2' ' CE1' ' A' ' 10' ' ' TYR . 14.8 tptp -42.69 -36.22 1.36 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.31 -40.53 64.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.096 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.417 ' CG ' ' HB ' ' A' ' 21' ' ' ILE . 61.9 m-20 -54.71 -31.6 58.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 13.2 tp -77.48 -46.27 23.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.93 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 26.4 m-20 -47.51 -46.06 27.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 91.7 t -68.52 -37.59 77.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.131 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 68.5 t60 -55.03 -34.3 63.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.504 ' O ' ' N ' ' A' ' 32' ' ' HIS . 8.2 mt -72.27 -40.25 67.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 76.9 mtp85 -39.83 -25.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 29' ' ' LEU . 22.2 mttp -90.77 -37.13 13.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.504 ' N ' ' O ' ' A' ' 29' ' ' LEU . 12.1 m-70 -57.6 -44.91 85.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.842 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.0 t -100.2 131.33 46.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.123 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 119.22 -53.79 0.66 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.45 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -105.59 141.05 37.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.927 0.394 . . . . 0.0 110.884 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 31.7 mmtm . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.962 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.8 m -114.43 -50.97 2.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.865 0.364 . . . . 0.0 110.847 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.5 p -95.74 159.7 14.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.834 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.75 -113.55 0.34 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.514 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.7 t -155.05 114.27 3.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.916 0.389 . . . . 0.0 110.897 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.9 m 61.06 42.49 12.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.867 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.41 -106.11 2.26 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.518 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.2 mtmt -62.36 144.02 95.4 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.585 0.707 . . . . 0.0 110.942 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.474 ' HG2' ' CD2' ' A' ' 10' ' ' TYR . 54.0 Cg_endo -69.75 -49.83 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.729 2.286 . . . . 0.0 112.312 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.529 ' CE1' ' HB2' ' A' ' 22' ' ' LYS . 56.2 m-85 -71.85 127.8 33.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.926 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -124.12 150.05 45.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.91 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.0 t -84.69 123.87 73.72 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.572 0.701 . . . . 0.0 110.874 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -4.49 14.13 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.698 2.265 . . . . 0.0 112.342 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 34.0 mm-40 -104.84 -61.9 1.41 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 15.7 p -115.85 -175.23 2.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.94 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 71.5 p -84.15 34.69 0.51 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 20.8 t80 -86.66 120.99 28.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.918 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -120.06 138.59 53.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.134 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.6 t -132.35 154.08 50.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.876 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -86.8 -22.18 26.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.081 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 52.0 mt -115.29 123.83 71.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.109 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.529 ' HB2' ' CE1' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -49.11 -56.15 10.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 179.828 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -42.98 -47.17 5.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.14 179.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 65.9 m-20 -54.93 -51.53 65.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.906 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 18.4 tp -59.23 -45.83 90.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.942 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 32.3 m-20 -46.19 -46.87 17.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 97.6 t -69.41 -40.64 80.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.129 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -52.58 -31.16 34.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.501 ' O ' ' N ' ' A' ' 32' ' ' HIS . 7.9 mt -75.02 -40.15 60.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 65.7 mtp85 -39.95 -25.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 29' ' ' LEU . 22.5 mttt -91.32 -36.74 13.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.501 ' N ' ' O ' ' A' ' 29' ' ' LEU . 17.3 m-70 -60.12 -44.09 95.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.5 t -95.0 -33.82 12.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.136 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -42.88 -60.08 3.07 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.474 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 57.9 tt0 -163.96 139.75 6.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.928 0.394 . . . . 0.0 110.874 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.424 ' C ' ' HD3' ' A' ' 36' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.946 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.0 m -51.8 110.79 0.51 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.899 0.38 . . . . 0.0 110.802 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.5 m -67.29 142.03 57.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.888 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -99.34 -42.24 2.8 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.471 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 6' ' ' SER . 78.3 p -42.85 -48.76 5.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.876 0.37 . . . . 0.0 110.85 -179.711 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 5' ' ' SER . 23.3 t 36.49 47.45 0.51 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.848 -179.801 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -107.24 46.75 1.12 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.486 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.4 mttp -148.19 142.58 16.59 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.611 0.72 . . . . 0.0 110.862 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.56 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 53.7 Cg_endo -69.73 -50.82 0.43 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.716 2.277 . . . . 0.0 112.347 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.566 ' CE2' ' HB2' ' A' ' 22' ' ' LYS . 35.0 m-85 -74.03 138.51 44.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -134.01 149.61 51.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.907 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.402 ' N ' ' O ' ' A' ' 17' ' ' TYR . 44.4 t -83.08 124.07 76.85 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.638 0.732 . . . . 0.0 110.854 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -11.52 30.99 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.661 2.241 . . . . 0.0 112.348 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -97.33 -61.7 1.36 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.895 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.426 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 14.9 p -114.98 -175.23 2.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 63.5 m -84.17 33.9 0.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.427 ' CD1' ' CD2' ' A' ' 28' ' ' HIS . 30.4 t80 -87.92 124.5 33.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.983 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -123.01 142.16 51.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.134 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 24.2 t -129.82 146.66 51.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.837 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.93 -22.67 52.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.1 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 30.3 mt -114.97 141.47 31.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.566 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . 13.6 tptm -60.05 -59.67 5.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -47.53 -42.84 24.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.071 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -52.35 -49.32 64.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.875 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 28.6 tp -62.37 -46.09 90.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.929 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 32.1 m-20 -43.73 -48.15 7.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 90.7 t -64.92 -41.09 91.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.114 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.427 ' CD2' ' CD1' ' A' ' 17' ' ' TYR . 83.1 t60 -54.21 -39.49 66.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.501 ' O ' ' N ' ' A' ' 32' ' ' HIS . 8.4 mt -69.73 -41.54 75.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.92 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 88.7 mtt180 -39.88 -25.38 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.905 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.474 ' N ' ' O ' ' A' ' 29' ' ' LEU . 21.6 mttm -92.43 -36.19 13.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.501 ' N ' ' O ' ' A' ' 29' ' ' LEU . 15.7 m-70 -61.12 -43.01 99.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.9 t -81.02 113.27 19.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.125 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -119.96 50.28 0.83 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.518 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -103.4 110.89 23.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.937 0.399 . . . . 0.0 110.885 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 41.2 mttp . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.865 179.975 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 m -64.9 -60.63 2.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.907 0.384 . . . . 0.0 110.867 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.8 p 43.09 42.59 3.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.8 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.96 125.22 2.23 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.452 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -74.55 -61.01 2.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.878 0.37 . . . . 0.0 110.858 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.1 p -77.15 -47.44 20.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.859 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.63 94.71 0.48 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.466 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.462 ' HD3' ' N ' ' A' ' 20' ' ' ALA . 13.9 mttp -54.05 152.7 10.26 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.588 0.708 . . . . 0.0 110.928 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.56 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 53.5 Cg_endo -69.75 -48.82 0.64 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.673 2.249 . . . . 0.0 112.331 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.56 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 27.4 m-85 -77.34 127.55 32.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.424 ' HD3' ' C ' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -129.01 149.92 50.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.864 179.886 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.3 t -82.16 125.38 77.17 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.637 0.732 . . . . 0.0 110.897 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -10.91 29.76 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.68 2.254 . . . . 0.0 112.325 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -97.28 -61.18 1.44 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.962 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.6 p -113.06 -176.26 2.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.1 m -85.5 33.71 0.57 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 31.6 t80 -84.25 119.01 24.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.937 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -115.04 132.67 56.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.11 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.0 p -124.61 147.16 48.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.899 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.462 ' N ' ' HD3' ' A' ' 8' ' ' LYS . . . -81.02 -21.87 39.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.078 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 34.7 mt -115.94 146.49 20.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.129 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.475 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . 18.9 tptp -67.81 -51.6 46.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 179.807 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.84 -41.88 58.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -56.23 -45.88 79.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 22.2 tp -61.84 -51.86 66.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -40.69 -49.97 3.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.864 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 88.6 t -64.69 -42.3 94.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.1 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -53.16 -41.33 65.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.502 ' O ' ' N ' ' A' ' 32' ' ' HIS . 8.5 mt -67.6 -42.7 82.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.948 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 47.5 mtt180 -39.93 -25.38 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 29' ' ' LEU . 39.4 mttt -91.22 -36.84 13.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.842 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.502 ' N ' ' O ' ' A' ' 29' ' ' LEU . 14.4 m-70 -60.55 -45.94 92.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.843 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.431 ' O ' ' C ' ' A' ' 34' ' ' GLY . 11.2 t -83.93 -29.24 27.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.098 -179.853 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 33' ' ' THR . . . -34.93 -85.75 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.503 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -115.38 5.71 14.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.949 0.404 . . . . 0.0 110.89 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 32' ' ' HIS . 3.5 tppp? . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.91 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 76.6 p -41.3 138.94 1.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.893 0.378 . . . . 0.0 110.852 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.5 m 46.95 42.41 12.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.843 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.3 -68.6 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.504 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -110.78 138.08 47.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.916 0.389 . . . . 0.0 110.859 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.5 m -45.45 -54.93 6.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.843 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.08 -159.28 53.69 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.477 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.2 mttm -114.74 144.33 31.72 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.591 0.71 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.5 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 53.8 Cg_endo -69.76 -50.39 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.716 2.277 . . . . 0.0 112.38 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.5 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 50.4 m-85 -76.38 138.03 40.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.928 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -133.51 148.75 51.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.905 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 37.3 t -80.74 123.74 82.25 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.603 0.716 . . . . 0.0 110.888 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -2.01 9.42 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.687 2.258 . . . . 0.0 112.37 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -109.87 -60.52 1.78 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.45 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 10.9 p -115.21 -175.27 2.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.7 t -84.98 35.81 0.59 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.842 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.45 ' CB ' ' SG ' ' A' ' 15' ' ' CYS . 5.9 t80 -90.93 129.64 36.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -133.66 142.11 47.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.124 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 t -139.54 122.9 17.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.825 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -48.1 -19.33 0.26 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.067 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.425 HG21 ' N ' ' A' ' 22' ' ' LYS . 50.9 mt -111.88 145.84 17.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.161 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.436 ' O ' ' N ' ' A' ' 25' ' ' LEU . 22.5 tptp -74.1 -65.63 0.82 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 22' ' ' LYS . . . -34.57 -42.44 0.15 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.076 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -58.8 -50.21 74.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' A' ' 22' ' ' LYS . 20.3 tp -56.94 -45.01 83.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.924 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.446 ' C ' ' OD1' ' A' ' 26' ' ' ASN . 3.2 t30 -48.48 -51.77 25.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 83.2 t -64.71 -40.63 89.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.111 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.42 ' CE1' ' CD2' ' A' ' 17' ' ' TYR . 73.6 t60 -52.09 -36.08 49.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.502 ' O ' ' N ' ' A' ' 32' ' ' HIS . 8.1 mt -72.44 -44.72 62.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.936 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 84.9 mtt180 -40.35 -24.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' A' ' 29' ' ' LEU . 40.5 mttt -89.11 -37.16 15.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.502 ' N ' ' O ' ' A' ' 29' ' ' LEU . 12.2 m-70 -56.37 -46.1 80.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.5 t -82.85 144.45 30.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.115 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 101.09 40.48 2.83 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.478 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -173.94 175.22 2.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.943 0.401 . . . . 0.0 110.881 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 49.8 mtmt . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 179.935 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.499 -0.241 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.8 t -39.68 104.9 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.819 0.343 . . . . 0.0 110.858 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.9 t -172.87 127.17 0.48 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.18 -156.49 28.1 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.524 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.8 m -97.2 166.93 11.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.882 0.372 . . . . 0.0 110.853 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.4 t -105.68 141.93 36.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.13 -136.71 2.16 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.523 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.469 ' HG2' ' N ' ' A' ' 20' ' ' ALA . 8.5 mptt -70.53 143.65 90.47 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.569 0.699 . . . . 0.0 110.884 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.531 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 53.9 Cg_endo -69.73 -50.94 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.669 2.246 . . . . 0.0 112.326 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.531 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 54.2 m-85 -63.55 132.78 52.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.943 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -121.92 150.01 42.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.835 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.482 ' N ' ' O ' ' A' ' 17' ' ' TYR . 51.9 t -88.85 127.09 57.3 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.597 0.713 . . . . 0.0 110.91 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -19.09 36.46 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.633 2.222 . . . . 0.0 112.359 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.407 ' HB2' ' CD2' ' A' ' 32' ' ' HIS . 0.8 OUTLIER -87.08 -50.65 6.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.939 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.4 ' O ' ' O ' ' A' ' 12' ' ' CYS . 16.0 p -131.1 -174.89 3.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.0 t -83.75 35.86 0.53 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.852 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.482 ' O ' ' N ' ' A' ' 12' ' ' CYS . 3.8 t80 -91.67 128.62 37.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.928 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.416 ' CB ' ' O ' ' A' ' 10' ' ' TYR . . . -132.25 135.66 46.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.119 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.416 ' C ' ' HG2' ' A' ' 8' ' ' LYS . 13.8 t -124.66 162.86 23.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.779 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.469 ' N ' ' HG2' ' A' ' 8' ' ' LYS . . . -80.16 -26.76 39.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.119 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 32.5 mt -114.14 138.05 45.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.165 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -61.8 -56.22 21.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.88 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -39.54 -45.95 1.67 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.123 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -57.41 -47.58 81.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 20.8 tp -59.89 -48.5 81.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 12.6 t30 -43.21 -55.33 4.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 76.1 t -63.4 -44.46 98.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.097 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 68.2 t60 -47.94 -32.31 6.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.505 ' O ' ' N ' ' A' ' 32' ' ' HIS . 7.7 mt -75.35 -40.24 58.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.936 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 67.9 mtt180 -39.77 -25.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.479 ' N ' ' O ' ' A' ' 29' ' ' LEU . 46.2 mttt -88.16 -38.33 15.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.908 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.505 ' N ' ' O ' ' A' ' 29' ' ' LEU . 46.7 m-70 -64.39 -39.63 94.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.88 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.8 t -99.68 78.47 2.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.165 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -65.58 107.95 2.15 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.462 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -81.0 148.68 29.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.867 0.365 . . . . 0.0 110.926 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 42.4 mmtt . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 179.975 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.496 -0.241 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.7 m -158.75 128.81 5.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.936 0.398 . . . . 0.0 110.822 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 4' ' ' GLY . 20.1 m -129.85 -45.84 1.16 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.823 -179.804 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 3' ' ' SER . . . 36.96 -146.85 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.522 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 m -151.3 175.45 12.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.822 0.344 . . . . 0.0 110.89 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.1 t -132.59 122.62 25.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.99 -54.94 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.51 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.457 ' HG2' ' N ' ' A' ' 20' ' ' ALA . 0.5 OUTLIER -44.62 141.98 2.64 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.55 0.691 . . . . 0.0 110.941 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.569 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 53.9 Cg_endo -69.76 -50.95 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.689 2.259 . . . . 0.0 112.347 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.569 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 41.2 m-85 -67.23 128.47 36.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.403 ' HD3' ' C ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -119.97 150.19 40.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.927 179.896 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.458 ' N ' ' O ' ' A' ' 17' ' ' TYR . 48.5 t -84.17 129.57 57.86 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.594 0.711 . . . . 0.0 110.9 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -13.61 34.9 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.666 2.244 . . . . 0.0 112.35 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 -97.74 -64.29 1.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.941 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.468 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 18.0 p -110.19 -174.91 2.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.881 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.7 m -84.64 27.37 0.73 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.801 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.468 ' CB ' ' SG ' ' A' ' 15' ' ' CYS . 11.0 t80 -82.54 125.32 31.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -129.36 131.2 46.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.112 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.422 ' C ' ' HG2' ' A' ' 8' ' ' LYS . 10.9 p -115.63 162.82 16.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.8 -179.721 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.457 ' N ' ' HG2' ' A' ' 8' ' ' LYS . . . -88.37 -14.94 36.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.122 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 24.8 mt -126.1 133.28 69.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.174 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 41.7 tptt -54.65 -55.12 32.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -47.87 -41.05 23.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.098 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -59.77 -41.4 91.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 13.2 tp -67.06 -46.66 73.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 25.7 m-20 -46.09 -45.81 16.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 88.9 t -69.84 -38.59 76.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.137 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 70.3 t60 -57.59 -36.93 72.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.502 ' O ' ' N ' ' A' ' 32' ' ' HIS . 8.7 mt -72.43 -41.86 65.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.897 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 73.5 mtp85 -39.73 -25.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.837 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 29' ' ' LEU . 4.2 mtpm? -89.41 -38.13 14.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.502 ' N ' ' O ' ' A' ' 29' ' ' LEU . 18.5 m-70 -56.33 -49.47 74.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.0 t -88.17 124.27 33.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.15 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 160.04 -82.02 0.14 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.461 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 33.9 tp10 -106.29 132.96 51.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.883 0.373 . . . . 0.0 110.842 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.1 tppp? . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 179.939 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.4 p -138.79 109.65 6.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.803 0.335 . . . . 0.0 110.845 -179.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -116.1 -61.52 1.72 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 60.55 67.1 2.29 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.473 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 t -119.49 59.11 0.86 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.912 0.387 . . . . 0.0 110.86 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.2 t -130.94 104.58 7.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.826 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.9 58.79 4.26 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.454 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.424 ' HB2' ' CB ' ' A' ' 18' ' ' ALA . 27.2 mmtt -119.32 143.02 33.47 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.552 0.691 . . . . 0.0 110.91 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.567 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 54.1 Cg_endo -69.7 -46.51 1.22 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.701 2.267 . . . . 0.0 112.348 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.567 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 28.6 m-85 -86.7 124.45 32.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.414 ' HD3' ' C ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -122.67 150.11 43.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.874 179.943 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 46.7 t -87.21 127.69 58.21 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.616 0.722 . . . . 0.0 110.889 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -15.58 37.14 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.681 2.254 . . . . 0.0 112.347 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 22.5 mm-40 -91.38 -58.32 2.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.945 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.426 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 19.1 p -116.92 -175.79 2.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 47.7 m -85.19 29.35 0.66 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.856 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.426 ' CB ' ' SG ' ' A' ' 15' ' ' CYS . 8.3 t80 -78.37 120.58 23.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.922 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.424 ' CB ' ' HB2' ' A' ' 8' ' ' LYS . . . -127.73 125.29 39.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.097 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 18.7 t -124.05 158.4 32.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.834 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -92.63 19.51 7.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.127 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 80.6 mt -146.07 130.24 11.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.108 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.457 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . 30.7 tttt -61.5 -42.29 98.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.64 -43.96 85.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.086 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -57.72 -50.93 71.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 18.4 tp -58.53 -49.82 76.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -42.98 -62.68 0.96 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 88.7 t -55.63 -48.07 78.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.142 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 76.8 t60 -45.13 -33.36 2.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.504 ' O ' ' N ' ' A' ' 32' ' ' HIS . 8.3 mt -72.86 -47.5 45.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.93 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -40.02 -25.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.837 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.485 ' N ' ' O ' ' A' ' 29' ' ' LEU . 28.8 mttm -87.47 -38.29 16.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.903 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.504 ' N ' ' O ' ' A' ' 29' ' ' LEU . 12.4 m-70 -57.8 -43.7 85.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.401 HG21 ' N ' ' A' ' 34' ' ' GLY . 8.8 t -78.28 -40.9 35.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.401 ' N ' HG21 ' A' ' 33' ' ' THR . . . 57.51 -161.22 9.52 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.499 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -105.02 138.11 41.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.983 0.421 . . . . 0.0 110.87 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 17.0 tptt . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.87 179.989 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.44 -0.264 . . . . 0.0 112.44 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 m -49.78 -43.62 48.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.845 0.355 . . . . 0.0 110.828 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 m -125.05 121.84 35.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.916 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.83 -138.57 20.32 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.458 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.7 p -127.07 159.85 32.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.887 0.375 . . . . 0.0 110.861 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.3 t -113.8 91.6 3.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.88 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.54 80.74 0.1 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.488 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.6 mttp -102.3 142.36 24.42 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.559 0.695 . . . . 0.0 110.899 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.549 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 53.9 Cg_endo -69.77 -50.91 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.705 2.27 . . . . 0.0 112.314 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.549 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 38.0 m-85 -70.5 132.74 45.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.955 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -129.55 149.71 51.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 34.5 t -81.44 125.41 78.82 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.652 0.739 . . . . 0.0 110.876 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -9.04 25.13 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.652 2.235 . . . . 0.0 112.36 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -101.68 -62.92 1.19 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.933 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.3 p -113.5 -174.95 2.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 31.3 m -83.93 35.0 0.51 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.851 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.487 ' CD2' ' CE1' ' A' ' 28' ' ' HIS . 5.2 t80 -85.7 121.81 28.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -120.44 146.18 46.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.112 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 27.2 t -139.63 147.44 41.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.857 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.84 -24.75 52.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.093 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 37.7 mt -115.34 141.86 30.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.157 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.416 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . 33.8 tptt -60.55 -62.29 1.97 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.845 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -40.02 -40.81 1.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.109 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -57.88 -48.37 80.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 20.7 tp -64.51 -44.03 92.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -48.86 -48.45 41.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.437 ' HA ' ' CD ' ' A' ' 30' ' ' ARG . 84.8 t -66.11 -36.27 77.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.164 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.487 ' CE1' ' CD2' ' A' ' 17' ' ' TYR . 78.0 t60 -58.94 -35.5 73.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.859 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.502 ' O ' ' N ' ' A' ' 32' ' ' HIS . 8.0 mt -71.66 -40.14 69.85 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.888 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.437 ' CD ' ' HA ' ' A' ' 27' ' ' VAL . 42.7 mtp85 -40.53 -24.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 29' ' ' LEU . 32.7 mttp -92.51 -35.31 13.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.85 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.502 ' N ' ' O ' ' A' ' 29' ' ' LEU . 12.9 m-70 -62.22 -35.19 78.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.854 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.3 t -96.35 95.01 7.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.162 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.63 155.56 36.99 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.459 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 45.7 mm-40 -115.78 156.6 25.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.907 0.384 . . . . 0.0 110.886 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.423 ' C ' ' HD2' ' A' ' 36' ' ' LYS . 1.2 pptp? . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.853 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.7 p -98.67 -47.85 5.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.897 0.38 . . . . 0.0 110.88 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.9 p -110.92 81.65 1.47 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.832 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.59 83.69 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.475 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.7 m -124.84 42.24 3.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.887 0.375 . . . . 0.0 110.901 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.6 t -97.58 -57.8 2.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.898 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.31 76.5 1.32 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.487 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.2 mttp -65.27 142.71 98.58 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.586 0.708 . . . . 0.0 110.883 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.49 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 53.8 Cg_endo -69.75 -50.78 0.43 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.684 2.256 . . . . 0.0 112.341 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.49 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 51.7 m-85 -68.61 136.11 52.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.953 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -133.44 148.58 51.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.3 t -84.74 122.79 74.67 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.656 0.741 . . . . 0.0 110.801 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -9.74 26.86 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.671 2.248 . . . . 0.0 112.34 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -97.94 -59.46 1.76 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.417 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 15.9 p -118.74 -175.58 2.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.4 t -84.18 33.88 0.5 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.829 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.417 ' CB ' ' SG ' ' A' ' 15' ' ' CYS . 9.9 t80 -87.24 120.87 28.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -116.63 146.94 42.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.079 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.6 p -137.48 152.71 49.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -83.79 -19.99 34.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.085 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 72.3 mt -123.91 144.52 33.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.168 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.463 ' O ' ' N ' ' A' ' 25' ' ' LEU . 26.6 tptp -63.14 -63.55 1.16 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 22' ' ' LYS . . . -36.37 -45.99 0.51 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.083 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -57.05 -43.89 82.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.869 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.463 ' N ' ' O ' ' A' ' 22' ' ' LYS . 18.1 tp -65.21 -46.52 80.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 33.1 m-20 -45.75 -46.65 15.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 86.9 t -67.37 -43.06 88.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.174 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 80.4 t60 -52.47 -40.75 62.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.859 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.504 ' O ' ' N ' ' A' ' 32' ' ' HIS . 8.3 mt -68.23 -42.83 79.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.915 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 55.3 mtt180 -39.87 -25.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' A' ' 29' ' ' LEU . 57.7 mttt -90.43 -37.18 14.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.504 ' N ' ' O ' ' A' ' 29' ' ' LEU . 15.2 m-70 -58.28 -42.79 87.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.848 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.402 ' O ' ' CG2' ' A' ' 33' ' ' THR . 9.0 t -104.16 106.61 17.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.169 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -177.18 -61.76 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.478 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -43.8 157.36 0.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.98 0.419 . . . . 0.0 110.845 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.7 ttmt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.863 179.98 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.8 p -107.04 136.31 47.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.927 0.394 . . . . 0.0 110.808 -179.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.0 m -136.06 168.08 20.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.88 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.06 154.3 25.49 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.52 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m -109.12 -55.35 2.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.878 0.37 . . . . 0.0 110.863 -179.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.7 m -97.82 170.77 8.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.03 -132.1 3.24 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.472 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.469 ' HG2' ' N ' ' A' ' 20' ' ' ALA . 8.7 mptt -47.87 145.97 4.33 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.58 0.705 . . . . 0.0 110.923 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.558 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 53.8 Cg_endo -69.75 -50.82 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.659 2.239 . . . . 0.0 112.349 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.558 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 42.1 m-85 -68.19 126.11 28.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.424 ' HD3' ' C ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -126.97 150.2 49.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.911 179.908 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.3 t -85.25 127.46 63.81 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.652 0.739 . . . . 0.0 110.896 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -3.49 12.13 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.648 2.232 . . . . 0.0 112.362 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 17.9 mm-40 -105.83 -61.6 1.48 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.936 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.418 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 20.6 p -110.33 -177.75 3.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 21.4 t -85.94 31.2 0.63 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.418 ' CB ' ' SG ' ' A' ' 15' ' ' CYS . 51.6 t80 -82.67 138.3 34.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -140.96 135.64 31.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.133 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 17.0 t -129.6 157.22 42.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.863 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.469 ' N ' ' HG2' ' A' ' 8' ' ' LYS . . . -82.44 -22.82 35.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.114 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 49.7 mt -114.39 132.62 62.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.151 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.532 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . 11.7 tppt? -57.22 -57.56 12.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -40.29 -45.05 2.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.094 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -57.33 -48.87 77.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.884 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 20.5 tp -60.07 -47.7 84.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.957 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -45.72 -54.49 7.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 69.3 t -59.72 -43.43 91.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.127 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 65.1 t60 -51.37 -42.77 61.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.848 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.503 ' O ' ' N ' ' A' ' 32' ' ' HIS . 8.2 mt -65.57 -44.88 85.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 24.8 mtm180 -39.98 -25.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.83 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.484 ' N ' ' O ' ' A' ' 29' ' ' LEU . 10.5 mtpp -88.02 -38.15 15.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.888 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.503 ' N ' ' O ' ' A' ' 29' ' ' LEU . 12.8 m-70 -58.81 -46.61 87.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.797 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.401 ' O ' ' CG2' ' A' ' 33' ' ' THR . 9.6 t -78.69 80.59 5.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.18 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -130.76 160.58 23.25 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.474 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -111.49 40.29 2.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.925 0.393 . . . . 0.0 110.932 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.6 ttpm? . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.884 179.989 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.534 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.138 0 CA-C-O 120.779 0.241 . . . . 0.0 112.395 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.534 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 54.2 m-85 -73.08 118.96 16.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? -118.73 150.07 40.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.865 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.4 t -81.41 132.26 56.17 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.65 0.738 . . . . 0.0 110.867 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -9.87 27.19 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.721 2.281 . . . . 0.0 112.355 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 -104.01 -66.56 0.95 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.429 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 16.8 p -104.58 -178.84 3.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 69.6 p -84.83 32.66 0.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.879 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.435 ' CD1' ' C ' ' A' ' 17' ' ' TYR . 4.0 t80 -79.46 122.38 26.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.923 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -125.16 138.54 54.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.111 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 17.0 t -137.45 151.12 48.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.874 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.04 -29.07 57.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.053 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 30.4 mt -105.15 137.39 34.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.131 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.497 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . 2.9 ttmm -63.14 -59.52 4.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.903 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -41.03 -41.11 1.6 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.073 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -55.42 -48.1 74.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 21.6 tp -62.61 -42.54 99.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 26.9 m-20 -48.61 -51.68 26.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.539 HG22 ' CZ ' ' A' ' 30' ' ' ARG . 93.2 t -64.65 -37.36 79.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.139 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 78.0 t60 -55.4 -39.64 70.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.822 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.502 ' O ' ' N ' ' A' ' 32' ' ' HIS . 8.4 mt -68.57 -41.54 79.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.539 ' CZ ' HG22 ' A' ' 27' ' ' VAL . 55.0 mtt180 -40.01 -25.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 29' ' ' LEU . 12.2 mtpt -91.54 -36.53 13.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.502 ' N ' ' O ' ' A' ' 29' ' ' LEU . 11.7 m-70 -60.87 -42.27 97.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.859 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.6 t . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.14 -179.884 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.521 ' HG2' ' CD2' ' A' ' 10' ' ' TYR . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.154 0 CA-C-O 120.767 0.236 . . . . 0.0 112.373 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.521 ' CD2' ' HG2' ' A' ' 9' ' ' PRO . 37.9 m-85 -75.56 121.77 22.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.918 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.531 ' HG3' ' HB2' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -126.11 150.02 48.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.917 179.916 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 35.4 t -80.44 132.01 60.03 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.68 0.752 . . . . 0.0 110.871 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -16.35 37.66 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.676 2.251 . . . . 0.0 112.33 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.2 mm-40 -96.29 -62.08 1.33 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.446 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 17.7 p -110.97 -177.04 3.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.873 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 59.9 m -85.15 30.26 0.61 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.847 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.446 ' CB ' ' SG ' ' A' ' 15' ' ' CYS . 5.4 t80 -80.73 120.52 24.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.895 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.531 ' HB2' ' HG3' ' A' ' 11' ' ' LYS . . . -128.55 137.86 51.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.056 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.0 t -132.34 121.19 23.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -44.62 -22.99 0.09 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.113 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 59.2 mt -109.32 150.61 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.0 tptp -73.29 -62.21 1.55 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -38.87 -42.74 0.87 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.131 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -55.46 -49.8 71.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 15.6 tp -62.3 -46.59 88.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.444 ' HA ' HD12 ' A' ' 29' ' ' LEU . 8.1 t30 -49.75 -48.11 50.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 80.9 t -68.77 -31.95 52.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.154 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.478 ' HA ' ' CE ' ' A' ' 31' ' ' LYS . 74.5 t60 -62.47 -31.56 72.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.836 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.502 ' O ' ' N ' ' A' ' 32' ' ' HIS . 7.8 mt -72.77 -38.6 67.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.931 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 74.3 mtp85 -39.87 -25.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.484 ' N ' ' O ' ' A' ' 29' ' ' LEU . 17.4 mtmt -90.48 -37.24 14.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.502 ' N ' ' O ' ' A' ' 29' ' ' LEU . 16.6 m-70 -61.07 -42.62 98.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.836 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.5 t . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.122 -179.914 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.549 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 54.0 Cg_endo . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.749 0.229 . . . . 0.0 112.346 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.549 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 55.5 m-85 -74.49 128.57 35.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.502 ' CD ' ' O ' ' A' ' 9' ' ' PRO . 2.5 mptt -121.84 150.14 42.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.877 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.8 t -83.38 129.95 58.4 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.619 0.723 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.496 ' HD2' HD21 ' A' ' 29' ' ' LEU . 53.8 Cg_endo -69.74 -3.69 12.51 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.678 2.252 . . . . 0.0 112.34 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -108.23 -65.31 1.13 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.894 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.404 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 20.6 p -107.13 -176.18 3.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 77.8 p -86.01 30.43 0.67 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.858 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.404 ' CB ' ' SG ' ' A' ' 15' ' ' CYS . 57.9 t80 -81.24 133.41 35.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.912 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -134.95 134.37 40.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.104 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.9 t -128.43 154.79 45.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.83 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -80.27 -25.11 39.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.12 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 22.2 mt -108.12 131.18 59.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.173 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.19 -46.0 83.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.77 -44.18 73.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.111 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -52.27 -49.46 64.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.884 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 18.0 tp -63.39 -49.17 74.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.958 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.464 ' HA ' HD12 ' A' ' 29' ' ' LEU . 49.3 m-20 -42.84 -48.25 5.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.598 HG22 ' CZ ' ' A' ' 30' ' ' ARG . 93.9 t -68.09 -39.98 82.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.113 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 55.5 t60 -53.95 -32.71 54.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.826 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.501 ' O ' ' N ' ' A' ' 32' ' ' HIS . 8.2 mt -71.3 -41.25 70.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.598 ' CZ ' HG22 ' A' ' 27' ' ' VAL . 32.1 mtt180 -39.93 -25.29 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 29' ' ' LEU . 23.4 mttp -90.69 -37.06 13.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.501 ' N ' ' O ' ' A' ' 29' ' ' LEU . 13.8 m-70 -60.68 -50.46 73.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.836 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.8 t . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.119 -179.892 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.496 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 52.9 Cg_endo . . . . . 0 C--O 1.232 0.203 0 CA-C-O 120.813 0.256 . . . . 0.0 112.31 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.496 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 68.1 m-85 -71.68 119.83 16.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.913 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -115.46 150.08 37.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.89 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 47.3 t -85.47 128.33 59.66 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.622 0.725 . . . . 0.0 110.889 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -7.96 22.4 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.621 2.214 . . . . 0.0 112.371 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.5 mm-40 -100.88 -62.77 1.2 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 24.8 p -111.84 -176.34 2.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.5 m -85.52 34.12 0.58 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.825 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 77.7 t80 -82.94 134.44 35.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.905 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -130.36 131.21 45.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.086 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.3 p -122.96 151.94 41.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -79.08 -34.7 43.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.116 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 41.2 mt -109.25 143.99 18.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.118 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.408 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . 9.1 tptm -60.61 -58.57 7.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.868 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -43.72 -39.25 3.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.089 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 63.8 t-20 -58.26 -41.78 85.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 13.5 tp -67.47 -46.44 73.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 25.1 m-20 -44.28 -50.21 9.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 96.9 t -64.8 -38.69 83.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.143 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 78.7 t60 -56.72 -39.4 73.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.839 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.504 ' O ' ' N ' ' A' ' 32' ' ' HIS . 8.4 mt -71.27 -42.64 68.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.909 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 68.1 mtp180 -40.29 -25.07 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.828 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.469 ' N ' ' O ' ' A' ' 29' ' ' LEU . 12.2 mttm -91.49 -36.09 13.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.504 ' N ' ' O ' ' A' ' 29' ' ' LEU . 12.7 m-70 -61.45 -32.84 72.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.7 t . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.115 -179.914 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.546 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 54.3 Cg_endo . . . . . 0 C--O 1.231 0.174 0 CA-C-O 120.814 0.256 . . . . 0.0 112.393 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.546 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 50.8 m-85 -68.52 127.82 34.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.942 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.424 ' HG3' ' HB2' ' A' ' 18' ' ' ALA . 3.8 mptp? -125.44 150.15 47.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.866 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.7 t -83.59 131.49 52.24 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.644 0.735 . . . . 0.0 110.853 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.81 -17.87 37.08 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.7 2.267 . . . . 0.0 112.3 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -93.97 -59.0 2.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.477 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 14.3 p -114.32 -176.62 2.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 39.4 m -86.67 31.8 0.67 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.86 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.477 ' CB ' ' SG ' ' A' ' 15' ' ' CYS . 10.1 t80 -82.68 121.27 26.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.424 ' HB2' ' HG3' ' A' ' 11' ' ' LYS . . . -126.08 140.61 52.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.088 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.8 t -132.93 159.73 39.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -82.65 -19.77 37.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.067 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 48.4 mt -115.04 134.23 58.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.112 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.408 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -54.65 -57.64 10.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 179.81 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -46.07 -49.07 16.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.073 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -48.02 -29.54 3.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.902 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 18.1 tp -83.97 -43.85 14.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.944 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.437 ' C ' ' ND2' ' A' ' 26' ' ' ASN . 0.1 OUTLIER -51.76 -39.91 59.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 179.896 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 40.8 t -74.26 -34.65 37.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.109 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 73.0 t60 -60.44 -33.95 73.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.867 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.5 ' O ' ' N ' ' A' ' 32' ' ' HIS . 8.3 mt -71.53 -41.61 68.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.964 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 24.9 mtp180 -39.91 -25.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 29' ' ' LEU . 27.9 mttp -90.8 -37.26 13.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.5 ' N ' ' O ' ' A' ' 29' ' ' LEU . 13.9 m-70 -59.59 -41.77 91.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.0 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.18 -179.935 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.519 ' HG2' ' CD2' ' A' ' 10' ' ' TYR . 53.2 Cg_endo . . . . . 0 C--O 1.231 0.157 0 CA-C-O 120.816 0.257 . . . . 0.0 112.303 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.519 ' CD2' ' HG2' ' A' ' 9' ' ' PRO . 26.8 m-85 -73.75 122.34 22.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.427 ' HD3' ' C ' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -123.19 150.15 43.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.892 179.879 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.2 t -82.16 127.11 72.78 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.624 0.726 . . . . 0.0 110.866 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -10.23 28.04 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.643 2.229 . . . . 0.0 112.356 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -100.19 -62.83 1.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.4 p -111.67 -175.6 2.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.3 t -85.62 36.42 0.65 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -85.75 121.01 27.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.977 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -127.02 133.64 50.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.117 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 30.3 t -132.55 156.81 46.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.85 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.404 ' C ' HG13 ' A' ' 21' ' ' ILE . . . -89.91 16.69 7.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.077 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.404 HG13 ' C ' ' A' ' 20' ' ' ALA . 65.5 mt -147.58 123.04 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.105 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.424 ' HB2' ' CE1' ' A' ' 10' ' ' TYR . 9.3 ttmt -54.28 -57.01 12.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -44.21 -45.53 8.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.129 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -55.61 -49.44 72.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 21.6 tp -60.61 -46.38 90.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 29.4 m-20 -45.2 -48.25 12.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 87.6 t -69.22 -36.12 71.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.093 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -57.66 -31.29 66.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.503 ' O ' ' N ' ' A' ' 32' ' ' HIS . 8.0 mt -74.83 -40.14 61.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 27.8 mtp180 -40.28 -25.07 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 29' ' ' LEU . 22.4 mttp -91.98 -35.65 13.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.503 ' N ' ' O ' ' A' ' 29' ' ' LEU . 13.6 m-70 -62.09 -31.89 72.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.855 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.331 -0.23 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.14 -179.919 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.573 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.189 0 CA-C-O 120.829 0.262 . . . . 0.0 112.333 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.573 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 40.7 m-85 -75.58 124.39 27.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.511 ' HG3' ' HB2' ' A' ' 18' ' ' ALA . 1.6 mppt? -123.4 148.6 45.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.876 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 32.1 t -79.93 128.7 73.08 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.661 0.744 . . . . 0.0 110.86 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -9.19 25.51 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.654 2.236 . . . . 0.0 112.376 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -102.58 -60.25 1.57 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.929 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.446 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 15.9 p -113.23 -178.15 3.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.92 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.3 t -84.49 33.88 0.52 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.446 ' CB ' ' SG ' ' A' ' 15' ' ' CYS . 7.0 t80 -86.07 119.53 26.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.511 ' HB2' ' HG3' ' A' ' 11' ' ' LYS . . . -126.45 138.02 53.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.118 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.9 t -131.57 150.68 52.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.06 -24.6 63.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.116 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 24.2 mt -116.95 139.57 43.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.102 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.567 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . 14.1 ttmt -63.0 -59.94 4.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.442 ' C ' ' O ' ' A' ' 22' ' ' LYS . . . -34.54 -46.32 0.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.129 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -56.8 -47.97 79.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.917 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 22' ' ' LYS . 20.2 tp -61.52 -45.36 94.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.45 ' HA ' HD12 ' A' ' 29' ' ' LEU . 27.9 t-20 -47.07 -48.28 22.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 91.5 t -67.57 -41.21 85.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.118 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 65.2 t60 -53.09 -33.3 51.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.824 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.5 ' O ' ' N ' ' A' ' 32' ' ' HIS . 7.8 mt -71.92 -41.31 68.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 74.0 mtt-85 -39.94 -25.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.872 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 29' ' ' LEU . 24.1 mttm -90.14 -37.53 14.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.5 ' N ' ' O ' ' A' ' 29' ' ' LEU . 12.7 m-70 -57.66 -51.91 67.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.873 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 12.0 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 -179.926 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.466 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.802 0.251 . . . . 0.0 112.341 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.558 ' CE2' ' HB2' ' A' ' 22' ' ' LYS . 74.7 m-85 -74.02 136.91 43.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.6 mptp? -131.6 149.76 52.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.905 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 36.1 t -86.14 123.85 71.13 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.619 0.723 . . . . 0.0 110.846 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.558 ' HD2' HD21 ' A' ' 29' ' ' LEU . 53.6 Cg_endo -69.82 -7.61 21.51 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.698 2.266 . . . . 0.0 112.3 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -101.17 -61.02 1.42 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.949 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.441 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 14.7 p -115.95 -175.05 2.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.5 t -84.31 33.6 0.5 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.448 ' CD1' ' C ' ' A' ' 17' ' ' TYR . 4.8 t80 -89.87 125.79 35.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.913 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.443 ' HB1' ' O ' ' A' ' 10' ' ' TYR . . . -137.92 139.72 39.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.158 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.2 t -135.18 165.98 24.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.852 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -84.43 -24.56 29.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.135 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 44.3 mt -105.93 127.93 60.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.11 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.558 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . 39.7 tptt -58.56 -54.6 45.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -43.35 -44.74 5.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.119 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -56.17 -47.76 77.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 26.0 tp -62.98 -41.87 99.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -49.08 -53.93 18.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.858 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 94.1 t -62.95 -34.89 68.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.103 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 77.3 t60 -59.91 -37.43 79.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.846 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.558 HD21 ' HD2' ' A' ' 13' ' ' PRO . 8.2 mt -70.14 -40.57 74.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.946 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 36.2 mtt-85 -39.9 -25.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 29' ' ' LEU . 34.6 mttt -91.73 -36.62 13.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.501 ' N ' ' O ' ' A' ' 29' ' ' LEU . 14.2 m-70 -60.87 -43.55 98.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.84 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 12.1 t . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.147 -179.884 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.577 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 53.9 Cg_endo . . . . . 0 N--CA 1.466 -0.145 0 CA-C-O 120.858 0.274 . . . . 0.0 112.381 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.577 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 33.6 m-85 -74.39 121.99 22.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -121.95 146.33 47.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.908 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 17.4 t -73.67 128.44 86.96 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.658 0.742 . . . . 0.0 110.905 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.624 ' HD2' HD21 ' A' ' 29' ' ' LEU . 53.5 Cg_endo -69.77 -3.48 12.1 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.676 2.25 . . . . 0.0 112.3 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -110.46 -57.35 2.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.922 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.447 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 31.7 p -117.72 -175.2 2.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 17' ' ' TYR . 30.6 m -72.4 -17.58 61.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.83 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.74 ' CD2' ' CE1' ' A' ' 28' ' ' HIS . 4.2 t80 -34.42 127.73 0.45 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.944 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -140.04 144.0 36.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.082 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.6 t -138.39 142.18 39.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.72 -16.54 63.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.062 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 63.4 mt -116.52 132.74 65.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.137 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.5 tttt -57.38 -60.43 3.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -41.35 -44.53 2.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.133 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -55.39 -50.69 69.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 17.8 tp -60.94 -48.32 82.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.953 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 15.8 t30 -43.04 -51.27 5.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 87.7 t -62.72 -44.81 99.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.134 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.74 ' CE1' ' CD2' ' A' ' 17' ' ' TYR . 74.5 t60 -48.58 -38.27 20.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.624 HD21 ' HD2' ' A' ' 13' ' ' PRO . 8.1 mt -69.98 -43.78 70.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.972 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 33.4 mtp180 -39.86 -25.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.483 ' N ' ' O ' ' A' ' 29' ' ' LEU . 22.2 mttt -89.41 -38.32 14.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.898 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.496 ' N ' ' O ' ' A' ' 29' ' ' LEU . 17.8 m-70 -57.37 -39.36 75.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.8 t . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.132 -179.923 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.49 ' O ' ' CD ' ' A' ' 11' ' ' LYS . 54.5 Cg_endo . . . . . 0 C--O 1.231 0.153 0 CA-C-O 120.813 0.255 . . . . 0.0 112.348 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.486 ' CD2' ' HG2' ' A' ' 9' ' ' PRO . 52.8 m-85 -74.16 129.16 37.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.943 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.49 ' CD ' ' O ' ' A' ' 9' ' ' PRO . 3.8 mptt -118.78 149.97 40.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.87 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.7 t -85.81 133.72 40.95 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.631 0.729 . . . . 0.0 110.847 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -18.59 37.14 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.647 2.231 . . . . 0.0 112.369 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 35.4 mm-40 -92.55 -61.65 1.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.933 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 31.1 p -115.35 -176.58 2.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 31.5 t -84.79 29.59 0.61 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.846 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -79.01 120.7 23.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.958 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -125.34 130.28 51.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.112 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.4 t -119.88 157.74 28.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.827 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -89.51 9.88 24.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.107 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.451 HG22 ' H ' ' A' ' 23' ' ' ALA . 14.4 mm -138.99 113.06 7.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.167 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.469 ' HB2' ' CE1' ' A' ' 10' ' ' TYR . 14.8 tptp -42.69 -36.22 1.36 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.451 ' H ' HG22 ' A' ' 21' ' ' ILE . . . -73.31 -40.53 64.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.096 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.43 ' CG ' ' HB ' ' A' ' 21' ' ' ILE . 61.9 m-20 -54.71 -31.6 58.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 13.2 tp -77.48 -46.27 23.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.93 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 26.4 m-20 -47.51 -46.06 27.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 91.7 t -68.52 -37.59 77.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.131 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 68.5 t60 -55.03 -34.3 63.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.504 ' O ' ' N ' ' A' ' 32' ' ' HIS . 8.2 mt -72.27 -40.25 67.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 76.9 mtp85 -39.83 -25.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 29' ' ' LEU . 22.2 mttp -90.77 -37.13 13.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.504 ' N ' ' O ' ' A' ' 29' ' ' LEU . 12.1 m-70 -57.6 -44.91 85.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.842 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.0 t . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.123 -179.884 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.485 ' HG2' ' CD2' ' A' ' 10' ' ' TYR . 54.0 Cg_endo . . . . . 0 C--O 1.231 0.14 0 CA-C-O 120.772 0.238 . . . . 0.0 112.312 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.532 ' CE1' ' HB2' ' A' ' 22' ' ' LYS . 56.2 m-85 -71.85 127.8 33.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.926 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -124.12 150.05 45.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.91 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.0 t -84.69 123.87 73.72 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.572 0.701 . . . . 0.0 110.874 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -4.49 14.13 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.698 2.265 . . . . 0.0 112.342 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 34.0 mm-40 -104.84 -61.9 1.41 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 15.7 p -115.85 -175.23 2.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.94 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 71.5 p -84.15 34.69 0.51 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 20.8 t80 -86.66 120.99 28.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.918 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -120.06 138.59 53.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.134 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.6 t -132.35 154.08 50.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.876 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -86.8 -22.18 26.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.081 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 52.0 mt -115.29 123.83 71.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.109 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.532 ' HB2' ' CE1' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -49.11 -56.15 10.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 179.828 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -42.98 -47.17 5.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.14 179.773 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 65.9 m-20 -54.93 -51.53 65.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.906 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 18.4 tp -59.23 -45.83 90.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.942 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 32.3 m-20 -46.19 -46.87 17.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 97.6 t -69.41 -40.64 80.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.129 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -52.58 -31.16 34.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.501 ' O ' ' N ' ' A' ' 32' ' ' HIS . 7.9 mt -75.02 -40.15 60.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 65.7 mtp85 -39.95 -25.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 29' ' ' LEU . 22.5 mttt -91.32 -36.74 13.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.501 ' N ' ' O ' ' A' ' 29' ' ' LEU . 17.3 m-70 -60.12 -44.09 95.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.5 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.136 -179.939 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.572 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.17 0 CA-C-O 120.792 0.246 . . . . 0.0 112.347 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.572 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 35.0 m-85 -74.03 138.51 44.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -134.01 149.61 51.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.907 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.402 ' N ' ' O ' ' A' ' 17' ' ' TYR . 44.4 t -83.08 124.07 76.85 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.638 0.732 . . . . 0.0 110.854 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.557 ' HD2' HD21 ' A' ' 29' ' ' LEU . 54.1 Cg_endo -69.77 -11.52 30.99 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.661 2.241 . . . . 0.0 112.348 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -97.33 -61.7 1.36 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.895 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.426 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 14.9 p -114.98 -175.23 2.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 63.5 m -84.17 33.9 0.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.427 ' CD1' ' CD2' ' A' ' 28' ' ' HIS . 30.4 t80 -87.92 124.5 33.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.983 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -123.01 142.16 51.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.134 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 24.2 t -129.82 146.66 51.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.837 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.93 -22.67 52.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.1 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 30.3 mt -114.97 141.47 31.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.562 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . 13.6 tptm -60.05 -59.67 5.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -47.53 -42.84 24.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.071 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -52.35 -49.32 64.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.875 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 28.6 tp -62.37 -46.09 90.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.929 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 32.1 m-20 -43.73 -48.15 7.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 90.7 t -64.92 -41.09 91.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.114 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.427 ' CD2' ' CD1' ' A' ' 17' ' ' TYR . 83.1 t60 -54.21 -39.49 66.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.557 HD21 ' HD2' ' A' ' 13' ' ' PRO . 8.4 mt -69.73 -41.54 75.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.92 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 88.7 mtt180 -39.88 -25.38 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.905 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.474 ' N ' ' O ' ' A' ' 29' ' ' LEU . 21.6 mttm -92.43 -36.19 13.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.501 ' N ' ' O ' ' A' ' 29' ' ' LEU . 15.7 m-70 -61.12 -43.01 99.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.534 ' O ' HG23 ' A' ' 33' ' ' THR . 9.9 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.125 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.57 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.156 0 CA-C-O 120.792 0.247 . . . . 0.0 112.331 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.57 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 27.4 m-85 -77.34 127.55 32.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.434 ' HD3' ' C ' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -129.01 149.92 50.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.864 179.886 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.3 t -82.16 125.38 77.17 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.637 0.732 . . . . 0.0 110.897 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -10.91 29.76 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.68 2.254 . . . . 0.0 112.325 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -97.28 -61.18 1.44 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.962 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.6 p -113.06 -176.26 2.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.1 m -85.5 33.71 0.57 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 31.6 t80 -84.25 119.01 24.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.937 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -115.04 132.67 56.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.11 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.0 p -124.61 147.16 48.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.899 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -81.02 -21.87 39.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.078 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 34.7 mt -115.94 146.49 20.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.129 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.476 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . 18.9 tptp -67.81 -51.6 46.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 179.807 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.84 -41.88 58.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -56.23 -45.88 79.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 22.2 tp -61.84 -51.86 66.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -40.69 -49.97 3.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.864 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 88.6 t -64.69 -42.3 94.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.1 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -53.16 -41.33 65.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.502 ' O ' ' N ' ' A' ' 32' ' ' HIS . 8.5 mt -67.6 -42.7 82.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.948 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 47.5 mtt180 -39.93 -25.38 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 29' ' ' LEU . 39.4 mttt -91.22 -36.84 13.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.842 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.502 ' N ' ' O ' ' A' ' 29' ' ' LEU . 14.4 m-70 -60.55 -45.94 92.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.843 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.2 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.098 -179.853 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.513 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.159 0 CA-C-O 120.854 0.272 . . . . 0.0 112.38 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.513 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 50.4 m-85 -76.38 138.03 40.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.928 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -133.51 148.75 51.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.905 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 37.3 t -80.74 123.74 82.25 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.603 0.716 . . . . 0.0 110.888 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -2.01 9.42 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.687 2.258 . . . . 0.0 112.37 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -109.87 -60.52 1.78 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.45 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 10.9 p -115.21 -175.27 2.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.7 t -84.98 35.81 0.59 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.842 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.45 ' CB ' ' SG ' ' A' ' 15' ' ' CYS . 5.9 t80 -90.93 129.64 36.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -133.66 142.11 47.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.124 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 t -139.54 122.9 17.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.825 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -48.1 -19.33 0.26 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.067 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 50.9 mt -111.88 145.84 17.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.161 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.436 ' O ' ' N ' ' A' ' 25' ' ' LEU . 22.5 tptp -74.1 -65.63 0.82 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 22' ' ' LYS . . . -34.57 -42.44 0.15 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.076 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -58.8 -50.21 74.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' A' ' 22' ' ' LYS . 20.3 tp -56.94 -45.01 83.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.924 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.446 ' C ' ' OD1' ' A' ' 26' ' ' ASN . 3.2 t30 -48.48 -51.77 25.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 83.2 t -64.71 -40.63 89.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.111 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.42 ' CE1' ' CD2' ' A' ' 17' ' ' TYR . 73.6 t60 -52.09 -36.08 49.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.502 ' O ' ' N ' ' A' ' 32' ' ' HIS . 8.1 mt -72.44 -44.72 62.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.936 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 84.9 mtt180 -40.35 -24.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' A' ' 29' ' ' LEU . 40.5 mttt -89.11 -37.16 15.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.502 ' N ' ' O ' ' A' ' 29' ' ' LEU . 12.2 m-70 -56.37 -46.1 80.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.5 t . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.115 -179.899 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.541 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.154 0 CA-C-O 120.819 0.258 . . . . 0.0 112.326 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.541 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 54.2 m-85 -63.55 132.78 52.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.943 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -121.92 150.01 42.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.835 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.482 ' N ' ' O ' ' A' ' 17' ' ' TYR . 51.9 t -88.85 127.09 57.3 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.597 0.713 . . . . 0.0 110.91 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.637 ' HD2' HD21 ' A' ' 29' ' ' LEU . 53.7 Cg_endo -69.78 -19.09 36.46 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.633 2.222 . . . . 0.0 112.359 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.559 ' HG3' HD23 ' A' ' 29' ' ' LEU . 0.8 OUTLIER -87.08 -50.65 6.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.939 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.4 ' O ' ' O ' ' A' ' 12' ' ' CYS . 16.0 p -131.1 -174.89 3.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.0 t -83.75 35.86 0.53 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.852 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.482 ' O ' ' N ' ' A' ' 12' ' ' CYS . 3.8 t80 -91.67 128.62 37.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.928 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.526 ' HB1' ' O ' ' A' ' 10' ' ' TYR . . . -132.25 135.66 46.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.119 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.8 t -124.66 162.86 23.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -80.16 -26.76 39.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.119 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 32.5 mt -114.14 138.05 45.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.165 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -61.8 -56.22 21.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.88 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -39.54 -45.95 1.67 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.123 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -57.41 -47.58 81.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 20.8 tp -59.89 -48.5 81.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 12.6 t30 -43.21 -55.33 4.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 76.1 t -63.4 -44.46 98.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.097 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 68.2 t60 -47.94 -32.31 6.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.637 HD21 ' HD2' ' A' ' 13' ' ' PRO . 7.7 mt -75.35 -40.24 58.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.936 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 67.9 mtt180 -39.77 -25.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.479 ' N ' ' O ' ' A' ' 29' ' ' LEU . 46.2 mttt -88.16 -38.33 15.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.908 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.505 ' N ' ' O ' ' A' ' 29' ' ' LEU . 46.7 m-70 -64.39 -39.63 94.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.88 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.165 -179.927 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.583 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 53.9 Cg_endo . . . . . 0 N--CA 1.465 -0.166 0 CA-C-O 120.801 0.251 . . . . 0.0 112.347 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.583 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 41.2 m-85 -67.23 128.47 36.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.411 ' HD3' ' C ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -119.97 150.19 40.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.927 179.896 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.458 ' N ' ' O ' ' A' ' 17' ' ' TYR . 48.5 t -84.17 129.57 57.86 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.594 0.711 . . . . 0.0 110.9 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.59 ' HD2' HD21 ' A' ' 29' ' ' LEU . 53.6 Cg_endo -69.77 -13.61 34.9 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.666 2.244 . . . . 0.0 112.35 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 -97.74 -64.29 1.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.941 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.468 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 18.0 p -110.19 -174.91 2.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.881 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.7 m -84.64 27.37 0.73 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.801 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.468 ' CB ' ' SG ' ' A' ' 15' ' ' CYS . 11.0 t80 -82.54 125.32 31.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.417 ' HB1' ' O ' ' A' ' 10' ' ' TYR . . . -129.36 131.2 46.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.112 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.9 p -115.63 162.82 16.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.8 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -88.37 -14.94 36.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.122 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 24.8 mt -126.1 133.28 69.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.174 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 41.7 tptt -54.65 -55.12 32.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -47.87 -41.05 23.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.098 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -59.77 -41.4 91.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 13.2 tp -67.06 -46.66 73.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 25.7 m-20 -46.09 -45.81 16.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 88.9 t -69.84 -38.59 76.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.137 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 70.3 t60 -57.59 -36.93 72.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.59 HD21 ' HD2' ' A' ' 13' ' ' PRO . 8.7 mt -72.43 -41.86 65.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.897 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 73.5 mtp85 -39.73 -25.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.837 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 29' ' ' LEU . 4.2 mtpm? -89.41 -38.13 14.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.502 ' N ' ' O ' ' A' ' 29' ' ' LEU . 18.5 m-70 -56.33 -49.47 74.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.475 ' O ' HG23 ' A' ' 33' ' ' THR . 15.0 t . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.15 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.58 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.164 0 CA-C-O 120.772 0.238 . . . . 0.0 112.348 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.58 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 28.6 m-85 -86.7 124.45 32.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.421 ' HD3' ' C ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -122.67 150.11 43.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.874 179.943 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 46.7 t -87.21 127.69 58.21 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.616 0.722 . . . . 0.0 110.889 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -15.58 37.14 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.681 2.254 . . . . 0.0 112.347 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 22.5 mm-40 -91.38 -58.32 2.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.945 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.426 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 19.1 p -116.92 -175.79 2.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 47.7 m -85.19 29.35 0.66 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.856 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.426 ' CB ' ' SG ' ' A' ' 15' ' ' CYS . 8.3 t80 -78.37 120.58 23.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.922 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -127.73 125.29 39.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.097 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 18.7 t -124.05 158.4 32.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.834 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -92.63 19.51 7.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.127 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 80.6 mt -146.07 130.24 11.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.108 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.453 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . 30.7 tttt -61.5 -42.29 98.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.64 -43.96 85.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.086 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -57.72 -50.93 71.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 18.4 tp -58.53 -49.82 76.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -42.98 -62.68 0.96 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 88.7 t -55.63 -48.07 78.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.142 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 76.8 t60 -45.13 -33.36 2.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.504 ' O ' ' N ' ' A' ' 32' ' ' HIS . 8.3 mt -72.86 -47.5 45.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.93 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -40.02 -25.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.837 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.485 ' N ' ' O ' ' A' ' 29' ' ' LEU . 28.8 mttm -87.47 -38.29 16.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.903 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.504 ' N ' ' O ' ' A' ' 29' ' ' LEU . 12.4 m-70 -57.8 -43.7 85.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.8 t . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 -179.917 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.558 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.135 0 CA-C-O 120.831 0.263 . . . . 0.0 112.314 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.558 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 38.0 m-85 -70.5 132.74 45.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.955 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -129.55 149.71 51.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 34.5 t -81.44 125.41 78.82 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.652 0.739 . . . . 0.0 110.876 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.512 ' HD2' HD21 ' A' ' 29' ' ' LEU . 53.9 Cg_endo -69.76 -9.04 25.13 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.652 2.235 . . . . 0.0 112.36 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 10.8 mm-40 -101.68 -62.92 1.19 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.933 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.3 p -113.5 -174.95 2.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 31.3 m -83.93 35.0 0.51 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.851 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.487 ' CD2' ' CE1' ' A' ' 28' ' ' HIS . 5.2 t80 -85.7 121.81 28.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -120.44 146.18 46.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.112 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 27.2 t -139.63 147.44 41.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.857 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.84 -24.75 52.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.093 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 37.7 mt -115.34 141.86 30.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.157 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.416 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . 33.8 tptt -60.55 -62.29 1.97 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.845 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -40.02 -40.81 1.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.109 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -57.88 -48.37 80.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 20.7 tp -64.51 -44.03 92.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -48.86 -48.45 41.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.441 ' HA ' ' CD ' ' A' ' 30' ' ' ARG . 84.8 t -66.11 -36.27 77.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.164 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.487 ' CE1' ' CD2' ' A' ' 17' ' ' TYR . 78.0 t60 -58.94 -35.5 73.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.859 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.512 HD21 ' HD2' ' A' ' 13' ' ' PRO . 8.0 mt -71.66 -40.14 69.85 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.888 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.441 ' CD ' ' HA ' ' A' ' 27' ' ' VAL . 42.7 mtp85 -40.53 -24.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 29' ' ' LEU . 32.7 mttp -92.51 -35.31 13.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.85 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.502 ' N ' ' O ' ' A' ' 29' ' ' LEU . 12.9 m-70 -62.22 -35.19 78.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.854 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.3 t . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.162 -179.941 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.502 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.191 0 CA-C-O 120.771 0.238 . . . . 0.0 112.341 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.502 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 51.7 m-85 -68.61 136.11 52.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.953 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -133.44 148.58 51.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.3 t -84.74 122.79 74.67 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.656 0.741 . . . . 0.0 110.801 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -9.74 26.86 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.671 2.248 . . . . 0.0 112.34 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -97.94 -59.46 1.76 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.417 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 15.9 p -118.74 -175.58 2.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.4 t -84.18 33.88 0.5 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.829 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.417 ' CB ' ' SG ' ' A' ' 15' ' ' CYS . 9.9 t80 -87.24 120.87 28.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -116.63 146.94 42.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.079 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.6 p -137.48 152.71 49.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -83.79 -19.99 34.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.085 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 72.3 mt -123.91 144.52 33.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.168 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.463 ' O ' ' N ' ' A' ' 25' ' ' LEU . 26.6 tptp -63.14 -63.55 1.16 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 22' ' ' LYS . . . -36.37 -45.99 0.51 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.083 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -57.05 -43.89 82.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.869 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.463 ' N ' ' O ' ' A' ' 22' ' ' LYS . 18.1 tp -65.21 -46.52 80.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 33.1 m-20 -45.75 -46.65 15.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 86.9 t -67.37 -43.06 88.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.174 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 80.4 t60 -52.47 -40.75 62.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.859 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.504 ' O ' ' N ' ' A' ' 32' ' ' HIS . 8.3 mt -68.23 -42.83 79.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.915 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 55.3 mtt180 -39.87 -25.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' A' ' 29' ' ' LEU . 57.7 mttt -90.43 -37.18 14.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.504 ' N ' ' O ' ' A' ' 29' ' ' LEU . 15.2 m-70 -58.28 -42.79 87.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.848 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.629 ' O ' HG23 ' A' ' 33' ' ' THR . 9.0 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.169 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.568 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.168 0 CA-C-O 120.752 0.23 . . . . 0.0 112.349 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.568 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 42.1 m-85 -68.19 126.11 28.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.433 ' HD3' ' C ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -126.97 150.2 49.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.911 179.908 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.3 t -85.25 127.46 63.81 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.652 0.739 . . . . 0.0 110.896 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.54 ' HD2' HD21 ' A' ' 29' ' ' LEU . 53.9 Cg_endo -69.77 -3.49 12.13 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.648 2.232 . . . . 0.0 112.362 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 17.9 mm-40 -105.83 -61.6 1.48 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.936 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.418 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 20.6 p -110.33 -177.75 3.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 21.4 t -85.94 31.2 0.63 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.418 ' CB ' ' SG ' ' A' ' 15' ' ' CYS . 51.6 t80 -82.67 138.3 34.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -140.96 135.64 31.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.133 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 17.0 t -129.6 157.22 42.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.863 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -82.44 -22.82 35.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.114 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 49.7 mt -114.39 132.62 62.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.151 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.536 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . 11.7 tppt? -57.22 -57.56 12.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -40.29 -45.05 2.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.094 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -57.33 -48.87 77.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.884 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 20.5 tp -60.07 -47.7 84.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.957 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -45.72 -54.49 7.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 69.3 t -59.72 -43.43 91.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.127 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 65.1 t60 -51.37 -42.77 61.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.848 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.54 HD21 ' HD2' ' A' ' 13' ' ' PRO . 8.2 mt -65.57 -44.88 85.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 24.8 mtm180 -39.98 -25.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.83 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.484 ' N ' ' O ' ' A' ' 29' ' ' LEU . 10.5 mtpp -88.02 -38.15 15.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.888 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.503 ' N ' ' O ' ' A' ' 29' ' ' LEU . 12.8 m-70 -58.81 -46.61 87.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.797 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.641 ' O ' HG23 ' A' ' 33' ' ' THR . 9.6 t . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.18 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.494 -0.243 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.8 p -47.33 114.31 0.85 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.887 0.375 . . . . 0.0 110.872 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.3 t -167.16 146.84 5.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.843 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.3 158.77 5.06 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.483 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.7 m -120.03 106.94 12.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.871 0.367 . . . . 0.0 110.836 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.4 m -83.91 151.8 24.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.06 -82.12 0.18 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.472 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.676 ' HD2' ' HB2' ' A' ' 20' ' ' ALA . 36.1 mmtm -63.55 148.28 94.2 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.567 0.699 . . . . 0.0 110.914 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.534 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 53.9 Cg_endo -69.74 -47.05 1.02 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.642 2.228 . . . . 0.0 112.395 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.534 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 54.2 m-85 -73.08 118.96 16.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.464 ' CE ' ' O ' ' A' ' 8' ' ' LYS . 2.8 mptp? -118.73 150.07 40.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.865 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.4 t -81.41 132.26 56.17 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.65 0.738 . . . . 0.0 110.867 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -9.87 27.19 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.721 2.281 . . . . 0.0 112.355 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 -104.01 -66.56 0.95 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.429 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 16.8 p -104.58 -178.84 3.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 69.6 p -84.83 32.66 0.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.879 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.435 ' CD1' ' C ' ' A' ' 17' ' ' TYR . 4.0 t80 -79.46 122.38 26.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.923 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.519 ' HB1' ' HB2' ' A' ' 8' ' ' LYS . . . -125.16 138.54 54.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.111 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.42 ' C ' ' HB3' ' A' ' 8' ' ' LYS . 17.0 t -137.45 151.12 48.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.874 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.676 ' HB2' ' HD2' ' A' ' 8' ' ' LYS . . . -76.04 -29.07 57.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.053 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 30.4 mt -105.15 137.39 34.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.131 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.497 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . 2.9 ttmm -63.14 -59.52 4.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.903 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -41.03 -41.11 1.6 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.073 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -55.42 -48.1 74.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 21.6 tp -62.61 -42.54 99.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 26.9 m-20 -48.61 -51.68 26.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.539 HG22 ' CZ ' ' A' ' 30' ' ' ARG . 93.2 t -64.65 -37.36 79.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.139 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 78.0 t60 -55.4 -39.64 70.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.822 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.502 ' O ' ' N ' ' A' ' 32' ' ' HIS . 8.4 mt -68.57 -41.54 79.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.539 ' CZ ' HG22 ' A' ' 27' ' ' VAL . 55.0 mtt180 -40.01 -25.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 29' ' ' LEU . 12.2 mtpt -91.54 -36.53 13.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.502 ' N ' ' O ' ' A' ' 29' ' ' LEU . 11.7 m-70 -60.87 -42.27 97.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.859 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.6 t -86.86 40.11 0.89 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.14 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -165.32 130.97 2.27 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.456 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -156.99 164.8 37.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.921 0.391 . . . . 0.0 110.873 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 36.6 tptt . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.892 179.937 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.8 p -102.57 83.89 2.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.817 0.341 . . . . 0.0 110.868 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.5 t -133.02 -61.23 0.84 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.08 46.06 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.524 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.5 m -128.64 115.26 17.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.919 0.39 . . . . 0.0 110.846 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 84.1 p -129.34 -51.4 1.18 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.859 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 124.47 69.93 0.21 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.483 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.6 mttp -144.35 144.22 24.78 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.57 0.7 . . . . 0.0 110.894 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.521 ' HG2' ' CD2' ' A' ' 10' ' ' TYR . 54.1 Cg_endo -69.72 -48.74 0.66 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.68 2.253 . . . . 0.0 112.373 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.521 ' CD2' ' HG2' ' A' ' 9' ' ' PRO . 37.9 m-85 -75.56 121.77 22.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.918 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.531 ' HG3' ' HB2' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -126.11 150.02 48.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.917 179.916 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 35.4 t -80.44 132.01 60.03 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.68 0.752 . . . . 0.0 110.871 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -16.35 37.66 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.676 2.251 . . . . 0.0 112.33 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.2 mm-40 -96.29 -62.08 1.33 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.446 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 17.7 p -110.97 -177.04 3.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.873 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 59.9 m -85.15 30.26 0.61 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.847 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.446 ' CB ' ' SG ' ' A' ' 15' ' ' CYS . 5.4 t80 -80.73 120.52 24.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.895 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.531 ' HB2' ' HG3' ' A' ' 11' ' ' LYS . . . -128.55 137.86 51.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.056 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.0 t -132.34 121.19 23.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -44.62 -22.99 0.09 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.113 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 59.2 mt -109.32 150.61 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.0 tptp -73.29 -62.21 1.55 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -38.87 -42.74 0.87 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.131 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -55.46 -49.8 71.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 15.6 tp -62.3 -46.59 88.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.444 ' HA ' HD12 ' A' ' 29' ' ' LEU . 8.1 t30 -49.75 -48.11 50.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 80.9 t -68.77 -31.95 52.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.154 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.478 ' HA ' ' CE ' ' A' ' 31' ' ' LYS . 74.5 t60 -62.47 -31.56 72.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.836 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.502 ' O ' ' N ' ' A' ' 32' ' ' HIS . 7.8 mt -72.77 -38.6 67.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.931 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 74.3 mtp85 -39.87 -25.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.484 ' N ' ' O ' ' A' ' 29' ' ' LEU . 17.4 mtmt -90.48 -37.24 14.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.502 ' N ' ' O ' ' A' ' 29' ' ' LEU . 16.6 m-70 -61.07 -42.62 98.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.836 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.5 t -100.15 39.94 1.3 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.122 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -134.91 -80.66 0.13 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.503 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.3 tm-20 -79.47 118.89 21.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.944 0.402 . . . . 0.0 110.889 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.7 tptm . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.901 179.992 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.5 p -75.07 117.94 17.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.916 0.388 . . . . 0.0 110.854 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 t -110.69 85.32 2.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.39 128.62 5.96 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.509 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.4 m -102.62 88.96 3.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.862 0.363 . . . . 0.0 110.854 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.3 p -77.18 94.86 4.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.865 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.408 ' C ' ' HD2' ' A' ' 8' ' ' LYS . . . 178.49 31.39 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.467 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.483 ' HG2' ' N ' ' A' ' 20' ' ' ALA . 5.5 mptt -139.21 153.08 70.88 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.542 0.687 . . . . 0.0 110.949 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.549 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 54.0 Cg_endo -69.71 -46.01 1.4 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.686 2.257 . . . . 0.0 112.346 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.549 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 55.5 m-85 -74.49 128.57 35.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.502 ' CD ' ' O ' ' A' ' 9' ' ' PRO . 2.5 mptt -121.84 150.14 42.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.877 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.8 t -83.38 129.95 58.4 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.619 0.723 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.496 ' HD2' HD21 ' A' ' 29' ' ' LEU . 53.8 Cg_endo -69.74 -3.69 12.51 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.678 2.252 . . . . 0.0 112.34 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -108.23 -65.31 1.13 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.894 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.404 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 20.6 p -107.13 -176.18 3.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 77.8 p -86.01 30.43 0.67 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.858 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.404 ' CB ' ' SG ' ' A' ' 15' ' ' CYS . 57.9 t80 -81.24 133.41 35.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.912 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -134.95 134.37 40.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.104 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.9 t -128.43 154.79 45.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.83 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.483 ' N ' ' HG2' ' A' ' 8' ' ' LYS . . . -80.27 -25.11 39.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.12 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 22.2 mt -108.12 131.18 59.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.173 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.19 -46.0 83.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.77 -44.18 73.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.111 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -52.27 -49.46 64.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.884 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 18.0 tp -63.39 -49.17 74.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.958 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.464 ' HA ' HD12 ' A' ' 29' ' ' LEU . 49.3 m-20 -42.84 -48.25 5.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.598 HG22 ' CZ ' ' A' ' 30' ' ' ARG . 93.9 t -68.09 -39.98 82.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.113 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 55.5 t60 -53.95 -32.71 54.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.826 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.501 ' O ' ' N ' ' A' ' 32' ' ' HIS . 8.2 mt -71.3 -41.25 70.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.598 ' CZ ' HG22 ' A' ' 27' ' ' VAL . 32.1 mtt180 -39.93 -25.29 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 29' ' ' LEU . 23.4 mttp -90.69 -37.06 13.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.501 ' N ' ' O ' ' A' ' 29' ' ' LEU . 13.8 m-70 -60.68 -50.46 73.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.836 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.8 t -94.56 40.16 1.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.119 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -120.29 -58.89 0.24 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.508 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -130.6 144.67 51.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.911 0.386 . . . . 0.0 110.893 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.7 mmmt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 179.946 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 m -116.2 -46.1 2.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.905 0.384 . . . . 0.0 110.854 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.5 p -58.75 117.2 4.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -106.82 144.52 15.87 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.474 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 6' ' ' SER . 4.6 t -97.15 72.45 2.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.85 0.357 . . . . 0.0 110.862 -179.723 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 5' ' ' SER . 4.2 m 34.53 43.99 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.87 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.32 -52.2 1.01 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.527 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.686 ' HD2' ' HB2' ' A' ' 20' ' ' ALA . 23.1 mmtt -73.15 152.59 90.51 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.579 0.704 . . . . 0.0 110.905 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.496 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 52.9 Cg_endo -69.83 -48.17 0.76 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.679 2.252 . . . . 0.0 112.31 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.496 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 68.1 m-85 -71.68 119.83 16.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.913 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -115.46 150.08 37.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.89 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 47.3 t -85.47 128.33 59.66 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.622 0.725 . . . . 0.0 110.889 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -7.96 22.4 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.621 2.214 . . . . 0.0 112.371 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.5 mm-40 -100.88 -62.77 1.2 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 24.8 p -111.84 -176.34 2.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.5 m -85.52 34.12 0.58 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.825 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 77.7 t80 -82.94 134.44 35.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.905 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.411 ' HB1' ' HB2' ' A' ' 8' ' ' LYS . . . -130.36 131.21 45.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.086 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.3 p -122.96 151.94 41.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.686 ' HB2' ' HD2' ' A' ' 8' ' ' LYS . . . -79.08 -34.7 43.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.116 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 41.2 mt -109.25 143.99 18.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.118 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.408 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . 9.1 tptm -60.61 -58.57 7.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.868 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -43.72 -39.25 3.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.089 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 63.8 t-20 -58.26 -41.78 85.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 13.5 tp -67.47 -46.44 73.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 25.1 m-20 -44.28 -50.21 9.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 96.9 t -64.8 -38.69 83.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.143 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 78.7 t60 -56.72 -39.4 73.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.839 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.504 ' O ' ' N ' ' A' ' 32' ' ' HIS . 8.4 mt -71.27 -42.64 68.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.909 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 68.1 mtp180 -40.29 -25.07 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.828 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.469 ' N ' ' O ' ' A' ' 29' ' ' LEU . 12.2 mttm -91.49 -36.09 13.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.504 ' N ' ' O ' ' A' ' 29' ' ' LEU . 12.7 m-70 -61.45 -32.84 72.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.7 t -108.04 85.1 2.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.115 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 152.78 -62.83 0.38 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.526 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -74.09 132.28 42.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.914 0.388 . . . . 0.0 110.897 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 35.1 mttp . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 179.992 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.547 -0.221 . . . . 0.0 112.547 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.0 m -100.09 -50.96 3.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.891 0.377 . . . . 0.0 110.854 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.9 t -109.71 118.72 37.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.835 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.33 50.73 0.46 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.448 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.2 t -122.69 41.03 3.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.873 0.368 . . . . 0.0 110.882 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m -61.23 107.9 0.83 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.2 -51.8 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.496 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.431 ' HG2' ' C ' ' A' ' 19' ' ' SER . 9.4 mptt -82.74 143.28 46.58 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.641 0.734 . . . . 0.0 110.879 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.546 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 54.3 Cg_endo -69.72 -50.75 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.663 2.242 . . . . 0.0 112.393 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.546 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 50.8 m-85 -68.52 127.82 34.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.942 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.424 ' HG3' ' HB2' ' A' ' 18' ' ' ALA . 3.8 mptp? -125.44 150.15 47.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.866 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.7 t -83.59 131.49 52.24 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.644 0.735 . . . . 0.0 110.853 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.81 -17.87 37.08 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.7 2.267 . . . . 0.0 112.3 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -93.97 -59.0 2.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.477 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 14.3 p -114.32 -176.62 2.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 39.4 m -86.67 31.8 0.67 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.86 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.477 ' CB ' ' SG ' ' A' ' 15' ' ' CYS . 10.1 t80 -82.68 121.27 26.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.424 ' HB2' ' HG3' ' A' ' 11' ' ' LYS . . . -126.08 140.61 52.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.088 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.431 ' C ' ' HG2' ' A' ' 8' ' ' LYS . 1.8 t -132.93 159.73 39.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 -179.788 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.407 ' N ' ' HG2' ' A' ' 8' ' ' LYS . . . -82.65 -19.77 37.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.067 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 48.4 mt -115.04 134.23 58.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.112 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.408 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -54.65 -57.64 10.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 179.81 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -46.07 -49.07 16.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.073 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -48.02 -29.54 3.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.902 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 18.1 tp -83.97 -43.85 14.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.944 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.437 ' C ' ' ND2' ' A' ' 26' ' ' ASN . 0.1 OUTLIER -51.76 -39.91 59.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 179.896 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 40.8 t -74.26 -34.65 37.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.109 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 73.0 t60 -60.44 -33.95 73.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.867 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.5 ' O ' ' N ' ' A' ' 32' ' ' HIS . 8.3 mt -71.53 -41.61 68.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.964 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 24.9 mtp180 -39.91 -25.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 29' ' ' LEU . 27.9 mttp -90.8 -37.26 13.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.5 ' N ' ' O ' ' A' ' 29' ' ' LEU . 13.9 m-70 -59.59 -41.77 91.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.0 t -86.12 145.57 26.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.18 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 35' ' ' GLU . . . 74.58 54.4 6.04 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.48 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 34' ' ' GLY . 69.0 mt-10 -34.54 133.8 0.24 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.896 0.379 . . . . 0.0 110.853 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.5 t -105.92 95.13 5.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.85 0.357 . . . . 0.0 110.883 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.8 p -172.13 140.38 1.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.828 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -122.04 -48.18 0.27 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.458 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.4 m -43.42 -47.08 6.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.889 0.376 . . . . 0.0 110.852 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.4 t -91.06 94.02 9.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.84 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.09 165.37 54.08 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.502 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.486 ' HG2' ' N ' ' A' ' 20' ' ' ALA . 6.4 mptt -86.67 143.97 36.63 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.625 0.726 . . . . 0.0 110.899 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.519 ' HG2' ' CD2' ' A' ' 10' ' ' TYR . 53.2 Cg_endo -69.8 -46.81 1.08 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.712 2.275 . . . . 0.0 112.303 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.519 ' CD2' ' HG2' ' A' ' 9' ' ' PRO . 26.8 m-85 -73.75 122.34 22.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.427 ' HD3' ' C ' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -123.19 150.15 43.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.892 179.879 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.2 t -82.16 127.11 72.78 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.624 0.726 . . . . 0.0 110.866 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -10.23 28.04 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.643 2.229 . . . . 0.0 112.356 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -100.19 -62.83 1.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.4 p -111.67 -175.6 2.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.3 t -85.62 36.42 0.65 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -85.75 121.01 27.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.977 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -127.02 133.64 50.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.117 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.407 ' C ' ' HG2' ' A' ' 8' ' ' LYS . 30.3 t -132.55 156.81 46.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.85 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.486 ' N ' ' HG2' ' A' ' 8' ' ' LYS . . . -89.91 16.69 7.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.077 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.404 HG13 ' C ' ' A' ' 20' ' ' ALA . 65.5 mt -147.58 123.04 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.105 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.424 ' HB2' ' CE1' ' A' ' 10' ' ' TYR . 9.3 ttmt -54.28 -57.01 12.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -44.21 -45.53 8.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.129 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -55.61 -49.44 72.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 21.6 tp -60.61 -46.38 90.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 29.4 m-20 -45.2 -48.25 12.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 87.6 t -69.22 -36.12 71.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.093 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -57.66 -31.29 66.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.503 ' O ' ' N ' ' A' ' 32' ' ' HIS . 8.0 mt -74.83 -40.14 61.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 27.8 mtp180 -40.28 -25.07 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 29' ' ' LEU . 22.4 mttp -91.98 -35.65 13.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.503 ' N ' ' O ' ' A' ' 29' ' ' LEU . 13.6 m-70 -62.09 -31.89 72.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.855 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.8 t -113.11 75.6 0.93 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.14 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 105.18 -147.51 16.29 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.482 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -142.74 136.8 29.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.894 0.378 . . . . 0.0 110.882 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 19.2 mmtp . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.852 179.967 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.439 -0.265 . . . . 0.0 112.439 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.2 t -128.99 151.5 49.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.871 0.367 . . . . 0.0 110.928 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.7 m -122.3 166.09 15.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.83 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.66 46.74 2.44 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.486 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.2 t -98.53 -45.17 6.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.893 0.378 . . . . 0.0 110.892 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.6 m 50.3 43.48 26.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.887 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.34 -152.31 3.38 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.453 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.639 ' HD2' ' HB2' ' A' ' 20' ' ' ALA . 30.8 mmtm -133.45 148.92 70.78 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.568 0.699 . . . . 0.0 110.919 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.573 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 53.8 Cg_endo -69.7 -47.43 0.95 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.719 2.28 . . . . 0.0 112.333 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.573 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 40.7 m-85 -75.58 124.39 27.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.511 ' HG3' ' HB2' ' A' ' 18' ' ' ALA . 1.6 mppt? -123.4 148.6 45.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.876 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 32.1 t -79.93 128.7 73.08 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.661 0.744 . . . . 0.0 110.86 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -9.19 25.51 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.654 2.236 . . . . 0.0 112.376 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -102.58 -60.25 1.57 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.929 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.446 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 15.9 p -113.23 -178.15 3.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.92 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.3 t -84.49 33.88 0.52 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.446 ' CB ' ' SG ' ' A' ' 15' ' ' CYS . 7.0 t80 -86.07 119.53 26.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.511 ' HB2' ' HG3' ' A' ' 11' ' ' LYS . . . -126.45 138.02 53.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.118 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.9 t -131.57 150.68 52.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.639 ' HB2' ' HD2' ' A' ' 8' ' ' LYS . . . -70.06 -24.6 63.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.116 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 24.2 mt -116.95 139.57 43.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.102 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.567 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . 14.1 ttmt -63.0 -59.94 4.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.442 ' C ' ' O ' ' A' ' 22' ' ' LYS . . . -34.54 -46.32 0.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.129 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -56.8 -47.97 79.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.917 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 22' ' ' LYS . 20.2 tp -61.52 -45.36 94.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.45 ' HA ' HD12 ' A' ' 29' ' ' LEU . 27.9 t-20 -47.07 -48.28 22.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 91.5 t -67.57 -41.21 85.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.118 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 65.2 t60 -53.09 -33.3 51.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.824 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.5 ' O ' ' N ' ' A' ' 32' ' ' HIS . 7.8 mt -71.92 -41.31 68.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 74.0 mtt-85 -39.94 -25.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.872 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 29' ' ' LEU . 24.1 mttm -90.14 -37.53 14.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.5 ' N ' ' O ' ' A' ' 29' ' ' LEU . 12.7 m-70 -57.66 -51.91 67.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.873 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 12.0 t -84.04 130.66 34.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 140.5 54.59 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.472 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 41.43 42.73 1.97 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.943 0.401 . . . . 0.0 110.913 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.0 ttpt . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.94 179.948 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.466 -0.253 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.6 m -106.88 161.21 14.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.901 0.381 . . . . 0.0 110.834 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.7 p -118.85 85.0 2.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.87 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -104.67 146.0 16.08 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.502 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.1 p -118.36 147.1 43.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.927 0.394 . . . . 0.0 110.8 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.6 m -152.31 148.16 27.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.7 61.44 0.3 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.499 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.59 ' HD2' ' HB2' ' A' ' 20' ' ' ALA . 17.7 mmtp -98.37 150.09 36.38 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.571 0.7 . . . . 0.0 110.912 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.466 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 53.8 Cg_endo -69.76 -48.2 0.77 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.7 2.267 . . . . 0.0 112.341 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.558 ' CE2' ' HB2' ' A' ' 22' ' ' LYS . 74.7 m-85 -74.02 136.91 43.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.6 mptp? -131.6 149.76 52.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.905 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 36.1 t -86.14 123.85 71.13 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.619 0.723 . . . . 0.0 110.846 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.558 ' HD2' HD21 ' A' ' 29' ' ' LEU . 53.6 Cg_endo -69.82 -7.61 21.51 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.698 2.266 . . . . 0.0 112.3 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -101.17 -61.02 1.42 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.949 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.441 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 14.7 p -115.95 -175.05 2.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.5 t -84.31 33.6 0.5 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.448 ' CD1' ' C ' ' A' ' 17' ' ' TYR . 4.8 t80 -89.87 125.79 35.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.913 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.443 ' HB1' ' O ' ' A' ' 10' ' ' TYR . . . -137.92 139.72 39.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.158 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.2 t -135.18 165.98 24.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.852 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.59 ' HB2' ' HD2' ' A' ' 8' ' ' LYS . . . -84.43 -24.56 29.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.135 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 44.3 mt -105.93 127.93 60.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.11 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.558 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . 39.7 tptt -58.56 -54.6 45.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -43.35 -44.74 5.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.119 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -56.17 -47.76 77.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 26.0 tp -62.98 -41.87 99.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -49.08 -53.93 18.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.858 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 94.1 t -62.95 -34.89 68.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.103 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 77.3 t60 -59.91 -37.43 79.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.846 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.558 HD21 ' HD2' ' A' ' 13' ' ' PRO . 8.2 mt -70.14 -40.57 74.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.946 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 36.2 mtt-85 -39.9 -25.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 29' ' ' LEU . 34.6 mttt -91.73 -36.62 13.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.501 ' N ' ' O ' ' A' ' 29' ' ' LEU . 14.2 m-70 -60.87 -43.55 98.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.84 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 12.1 t -105.65 141.69 36.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.147 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -170.69 -168.72 32.86 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.481 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -118.03 9.82 12.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.849 0.357 . . . . 0.0 110.848 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 23.3 tptp . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.873 179.979 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.9 t -38.45 131.77 1.19 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.864 0.364 . . . . 0.0 110.842 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.4 t 48.9 41.95 19.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.879 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -50.6 117.22 4.96 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.462 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.0 m -116.89 -51.45 2.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.818 0.342 . . . . 0.0 110.844 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 t -141.18 156.46 45.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.846 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.13 -105.56 0.19 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.51 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.433 ' HD3' ' C ' ' A' ' 18' ' ' ALA . 43.4 mttt -105.01 146.65 33.08 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.56 0.695 . . . . 0.0 110.942 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.577 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 53.9 Cg_endo -69.71 -50.51 0.46 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.704 2.269 . . . . 0.0 112.381 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.577 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 33.6 m-85 -74.39 121.99 22.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -121.95 146.33 47.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.908 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 17.4 t -73.67 128.44 86.96 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.658 0.742 . . . . 0.0 110.905 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.624 ' HD2' HD21 ' A' ' 29' ' ' LEU . 53.5 Cg_endo -69.77 -3.48 12.1 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.676 2.25 . . . . 0.0 112.3 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -110.46 -57.35 2.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.922 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.447 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 31.7 p -117.72 -175.2 2.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 17' ' ' TYR . 30.6 m -72.4 -17.58 61.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.83 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.74 ' CD2' ' CE1' ' A' ' 28' ' ' HIS . 4.2 t80 -34.42 127.73 0.45 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.944 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.433 ' C ' ' HD3' ' A' ' 8' ' ' LYS . . . -140.04 144.0 36.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.082 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.6 t -138.39 142.18 39.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.72 -16.54 63.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.062 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 63.4 mt -116.52 132.74 65.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.137 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.5 tttt -57.38 -60.43 3.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -41.35 -44.53 2.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.133 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -55.39 -50.69 69.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 17.8 tp -60.94 -48.32 82.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.953 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 15.8 t30 -43.04 -51.27 5.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 87.7 t -62.72 -44.81 99.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.134 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.74 ' CE1' ' CD2' ' A' ' 17' ' ' TYR . 74.5 t60 -48.58 -38.27 20.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.624 HD21 ' HD2' ' A' ' 13' ' ' PRO . 8.1 mt -69.98 -43.78 70.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.972 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 33.4 mtp180 -39.86 -25.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.483 ' N ' ' O ' ' A' ' 29' ' ' LEU . 22.2 mttt -89.41 -38.32 14.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.898 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.496 ' N ' ' O ' ' A' ' 29' ' ' LEU . 17.8 m-70 -57.37 -39.36 75.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.43 ' O ' ' C ' ' A' ' 34' ' ' GLY . 9.8 t -84.37 27.35 0.7 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.132 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.43 ' C ' ' O ' ' A' ' 33' ' ' THR . . . 34.84 -123.08 0.52 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.465 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.1 pm0 -116.58 176.91 4.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.953 0.406 . . . . 0.0 110.851 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.4 ttmm . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 179.936 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.4 m -62.92 92.8 0.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.898 0.38 . . . . 0.0 110.833 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.0 p -174.82 141.71 0.64 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.877 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 136.54 69.46 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.458 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 98.4 p -99.95 42.22 1.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.854 0.359 . . . . 0.0 110.88 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.4 p -160.47 140.84 11.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.891 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.08 64.27 0.37 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.492 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.687 ' HD2' ' HB2' ' A' ' 20' ' ' ALA . 30.6 mmtm -71.81 152.51 93.26 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.573 0.701 . . . . 0.0 110.9 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.49 ' O ' ' CD ' ' A' ' 11' ' ' LYS . 54.5 Cg_endo -69.73 -47.19 0.99 Allowed 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.746 2.298 . . . . 0.0 112.348 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.486 ' CD2' ' HG2' ' A' ' 9' ' ' PRO . 52.8 m-85 -74.16 129.16 37.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.943 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.49 ' CD ' ' O ' ' A' ' 9' ' ' PRO . 3.8 mptt -118.78 149.97 40.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.87 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.7 t -85.81 133.72 40.95 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.631 0.729 . . . . 0.0 110.847 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -18.59 37.14 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.647 2.231 . . . . 0.0 112.369 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 35.4 mm-40 -92.55 -61.65 1.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.933 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 31.1 p -115.35 -176.58 2.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 31.5 t -84.79 29.59 0.61 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.846 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -79.01 120.7 23.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.958 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.521 ' HB1' ' HB2' ' A' ' 8' ' ' LYS . . . -125.34 130.28 51.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.112 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.4 t -119.88 157.74 28.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.827 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.687 ' HB2' ' HD2' ' A' ' 8' ' ' LYS . . . -89.51 9.88 24.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.107 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.451 HG22 ' H ' ' A' ' 23' ' ' ALA . 14.4 mm -138.99 113.06 7.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.167 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.469 ' HB2' ' CE1' ' A' ' 10' ' ' TYR . 14.8 tptp -42.69 -36.22 1.36 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.451 ' H ' HG22 ' A' ' 21' ' ' ILE . . . -73.31 -40.53 64.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.096 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.43 ' CG ' ' HB ' ' A' ' 21' ' ' ILE . 61.9 m-20 -54.71 -31.6 58.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 13.2 tp -77.48 -46.27 23.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.93 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 26.4 m-20 -47.51 -46.06 27.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 91.7 t -68.52 -37.59 77.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.131 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 68.5 t60 -55.03 -34.3 63.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.504 ' O ' ' N ' ' A' ' 32' ' ' HIS . 8.2 mt -72.27 -40.25 67.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 76.9 mtp85 -39.83 -25.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 29' ' ' LEU . 22.2 mttp -90.77 -37.13 13.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.504 ' N ' ' O ' ' A' ' 29' ' ' LEU . 12.1 m-70 -57.6 -44.91 85.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.842 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.0 t -100.2 131.33 46.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.123 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 119.22 -53.79 0.66 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.45 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -105.59 141.05 37.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.927 0.394 . . . . 0.0 110.884 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 31.7 mmtm . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.962 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.8 m -114.43 -50.97 2.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.865 0.364 . . . . 0.0 110.847 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.5 p -95.74 159.7 14.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.834 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.75 -113.55 0.34 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.514 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.7 t -155.05 114.27 3.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.916 0.389 . . . . 0.0 110.897 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.9 m 61.06 42.49 12.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.867 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.41 -106.11 2.26 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.518 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.405 ' HD2' ' CA ' ' A' ' 19' ' ' SER . 7.2 mtmt -62.36 144.02 95.4 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.585 0.707 . . . . 0.0 110.942 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.485 ' HG2' ' CD2' ' A' ' 10' ' ' TYR . 54.0 Cg_endo -69.75 -49.83 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.729 2.286 . . . . 0.0 112.312 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.532 ' CE1' ' HB2' ' A' ' 22' ' ' LYS . 56.2 m-85 -71.85 127.8 33.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.926 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -124.12 150.05 45.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.91 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.0 t -84.69 123.87 73.72 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.572 0.701 . . . . 0.0 110.874 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -4.49 14.13 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.698 2.265 . . . . 0.0 112.342 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 34.0 mm-40 -104.84 -61.9 1.41 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 15.7 p -115.85 -175.23 2.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.94 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 71.5 p -84.15 34.69 0.51 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 20.8 t80 -86.66 120.99 28.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.918 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -120.06 138.59 53.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.134 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.405 ' CA ' ' HD2' ' A' ' 8' ' ' LYS . 13.6 t -132.35 154.08 50.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.876 -179.789 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -86.8 -22.18 26.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.081 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 52.0 mt -115.29 123.83 71.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.109 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.532 ' HB2' ' CE1' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -49.11 -56.15 10.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 179.828 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -42.98 -47.17 5.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.14 179.773 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 65.9 m-20 -54.93 -51.53 65.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.906 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 18.4 tp -59.23 -45.83 90.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.942 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 32.3 m-20 -46.19 -46.87 17.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 97.6 t -69.41 -40.64 80.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.129 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -52.58 -31.16 34.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.501 ' O ' ' N ' ' A' ' 32' ' ' HIS . 7.9 mt -75.02 -40.15 60.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 65.7 mtp85 -39.95 -25.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 29' ' ' LEU . 22.5 mttt -91.32 -36.74 13.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.501 ' N ' ' O ' ' A' ' 29' ' ' LEU . 17.3 m-70 -60.12 -44.09 95.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.5 t -95.0 -33.82 12.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.136 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -42.88 -60.08 3.07 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.474 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 57.9 tt0 -163.96 139.75 6.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.928 0.394 . . . . 0.0 110.874 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.419 ' C ' ' HD3' ' A' ' 36' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.946 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.0 m -51.8 110.79 0.51 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.899 0.38 . . . . 0.0 110.802 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.5 m -67.29 142.03 57.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.888 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -99.34 -42.24 2.8 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.471 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 6' ' ' SER . 78.3 p -42.85 -48.76 5.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.876 0.37 . . . . 0.0 110.85 -179.711 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 5' ' ' SER . 23.3 t 36.49 47.45 0.51 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.848 -179.801 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -107.24 46.75 1.12 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.486 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.4 mttp -148.19 142.58 16.59 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.611 0.72 . . . . 0.0 110.862 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.572 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 53.7 Cg_endo -69.73 -50.82 0.43 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.716 2.277 . . . . 0.0 112.347 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.572 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 35.0 m-85 -74.03 138.51 44.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -134.01 149.61 51.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.907 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.402 ' N ' ' O ' ' A' ' 17' ' ' TYR . 44.4 t -83.08 124.07 76.85 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.638 0.732 . . . . 0.0 110.854 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.557 ' HD2' HD21 ' A' ' 29' ' ' LEU . 54.1 Cg_endo -69.77 -11.52 30.99 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.661 2.241 . . . . 0.0 112.348 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -97.33 -61.7 1.36 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.895 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.426 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 14.9 p -114.98 -175.23 2.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 63.5 m -84.17 33.9 0.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.427 ' CD1' ' CD2' ' A' ' 28' ' ' HIS . 30.4 t80 -87.92 124.5 33.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.983 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -123.01 142.16 51.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.134 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 24.2 t -129.82 146.66 51.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.837 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.93 -22.67 52.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.1 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 30.3 mt -114.97 141.47 31.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.562 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . 13.6 tptm -60.05 -59.67 5.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -47.53 -42.84 24.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.071 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -52.35 -49.32 64.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.875 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 28.6 tp -62.37 -46.09 90.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.929 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 32.1 m-20 -43.73 -48.15 7.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 90.7 t -64.92 -41.09 91.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.114 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.427 ' CD2' ' CD1' ' A' ' 17' ' ' TYR . 83.1 t60 -54.21 -39.49 66.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.557 HD21 ' HD2' ' A' ' 13' ' ' PRO . 8.4 mt -69.73 -41.54 75.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.92 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 88.7 mtt180 -39.88 -25.38 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.905 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.474 ' N ' ' O ' ' A' ' 29' ' ' LEU . 21.6 mttm -92.43 -36.19 13.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.501 ' N ' ' O ' ' A' ' 29' ' ' LEU . 15.7 m-70 -61.12 -43.01 99.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.534 ' O ' HG23 ' A' ' 33' ' ' THR . 9.9 t -81.02 113.27 19.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.125 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -119.96 50.28 0.83 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.518 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -103.4 110.89 23.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.937 0.399 . . . . 0.0 110.885 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 41.2 mttp . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.865 179.975 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 m -64.9 -60.63 2.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.907 0.384 . . . . 0.0 110.867 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.8 p 43.09 42.59 3.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.8 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.96 125.22 2.23 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.452 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -74.55 -61.01 2.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.878 0.37 . . . . 0.0 110.858 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.1 p -77.15 -47.44 20.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.859 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.63 94.71 0.48 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.466 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.458 ' HD3' ' N ' ' A' ' 20' ' ' ALA . 13.9 mttp -54.05 152.7 10.26 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.588 0.708 . . . . 0.0 110.928 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.57 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 53.5 Cg_endo -69.75 -48.82 0.64 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.673 2.249 . . . . 0.0 112.331 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.57 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 27.4 m-85 -77.34 127.55 32.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.434 ' HD3' ' C ' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -129.01 149.92 50.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.864 179.886 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.3 t -82.16 125.38 77.17 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.637 0.732 . . . . 0.0 110.897 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -10.91 29.76 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.68 2.254 . . . . 0.0 112.325 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -97.28 -61.18 1.44 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.962 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.6 p -113.06 -176.26 2.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.1 m -85.5 33.71 0.57 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 31.6 t80 -84.25 119.01 24.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.937 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -115.04 132.67 56.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.11 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.0 p -124.61 147.16 48.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.899 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.458 ' N ' ' HD3' ' A' ' 8' ' ' LYS . . . -81.02 -21.87 39.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.078 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 34.7 mt -115.94 146.49 20.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.129 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.476 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . 18.9 tptp -67.81 -51.6 46.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 179.807 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.84 -41.88 58.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -56.23 -45.88 79.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 22.2 tp -61.84 -51.86 66.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -40.69 -49.97 3.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.864 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 88.6 t -64.69 -42.3 94.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.1 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -53.16 -41.33 65.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.502 ' O ' ' N ' ' A' ' 32' ' ' HIS . 8.5 mt -67.6 -42.7 82.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.948 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 47.5 mtt180 -39.93 -25.38 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 29' ' ' LEU . 39.4 mttt -91.22 -36.84 13.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.842 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.502 ' N ' ' O ' ' A' ' 29' ' ' LEU . 14.4 m-70 -60.55 -45.94 92.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.843 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.431 ' O ' ' C ' ' A' ' 34' ' ' GLY . 11.2 t -83.93 -29.24 27.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.098 -179.853 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 33' ' ' THR . . . -34.93 -85.75 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.503 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -115.38 5.71 14.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.949 0.404 . . . . 0.0 110.89 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 32' ' ' HIS . 3.5 tppp? . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.91 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 76.6 p -41.3 138.94 1.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.893 0.378 . . . . 0.0 110.852 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.5 m 46.95 42.41 12.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.843 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.3 -68.6 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.504 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -110.78 138.08 47.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.916 0.389 . . . . 0.0 110.859 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.5 m -45.45 -54.93 6.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.843 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.08 -159.28 53.69 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.477 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.2 mttm -114.74 144.33 31.72 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.591 0.71 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.513 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 53.8 Cg_endo -69.76 -50.39 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.716 2.277 . . . . 0.0 112.38 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.513 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 50.4 m-85 -76.38 138.03 40.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.928 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -133.51 148.75 51.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.905 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 37.3 t -80.74 123.74 82.25 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.603 0.716 . . . . 0.0 110.888 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -2.01 9.42 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.687 2.258 . . . . 0.0 112.37 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -109.87 -60.52 1.78 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.45 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 10.9 p -115.21 -175.27 2.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.7 t -84.98 35.81 0.59 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.842 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.45 ' CB ' ' SG ' ' A' ' 15' ' ' CYS . 5.9 t80 -90.93 129.64 36.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -133.66 142.11 47.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.124 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 t -139.54 122.9 17.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.825 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -48.1 -19.33 0.26 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.067 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 50.9 mt -111.88 145.84 17.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.161 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.436 ' O ' ' N ' ' A' ' 25' ' ' LEU . 22.5 tptp -74.1 -65.63 0.82 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 22' ' ' LYS . . . -34.57 -42.44 0.15 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.076 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -58.8 -50.21 74.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' A' ' 22' ' ' LYS . 20.3 tp -56.94 -45.01 83.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.924 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.446 ' C ' ' OD1' ' A' ' 26' ' ' ASN . 3.2 t30 -48.48 -51.77 25.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 83.2 t -64.71 -40.63 89.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.111 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.42 ' CE1' ' CD2' ' A' ' 17' ' ' TYR . 73.6 t60 -52.09 -36.08 49.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.502 ' O ' ' N ' ' A' ' 32' ' ' HIS . 8.1 mt -72.44 -44.72 62.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.936 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 84.9 mtt180 -40.35 -24.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' A' ' 29' ' ' LEU . 40.5 mttt -89.11 -37.16 15.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.502 ' N ' ' O ' ' A' ' 29' ' ' LEU . 12.2 m-70 -56.37 -46.1 80.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.5 t -82.85 144.45 30.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.115 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 101.09 40.48 2.83 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.478 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -173.94 175.22 2.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.943 0.401 . . . . 0.0 110.881 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 49.8 mtmt . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 179.935 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.499 -0.241 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.8 t -39.68 104.9 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.819 0.343 . . . . 0.0 110.858 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.9 t -172.87 127.17 0.48 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.18 -156.49 28.1 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.524 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.8 m -97.2 166.93 11.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.882 0.372 . . . . 0.0 110.853 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.4 t -105.68 141.93 36.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.13 -136.71 2.16 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.523 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.491 ' HG2' ' N ' ' A' ' 20' ' ' ALA . 8.5 mptt -70.53 143.65 90.47 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.569 0.699 . . . . 0.0 110.884 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.541 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 53.9 Cg_endo -69.73 -50.94 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.669 2.246 . . . . 0.0 112.326 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.541 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 54.2 m-85 -63.55 132.78 52.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.943 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -121.92 150.01 42.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.835 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.482 ' N ' ' O ' ' A' ' 17' ' ' TYR . 51.9 t -88.85 127.09 57.3 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.597 0.713 . . . . 0.0 110.91 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.637 ' HD2' HD21 ' A' ' 29' ' ' LEU . 53.7 Cg_endo -69.78 -19.09 36.46 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.633 2.222 . . . . 0.0 112.359 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.559 ' HG3' HD23 ' A' ' 29' ' ' LEU . 0.8 OUTLIER -87.08 -50.65 6.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.939 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.4 ' O ' ' O ' ' A' ' 12' ' ' CYS . 16.0 p -131.1 -174.89 3.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.0 t -83.75 35.86 0.53 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.852 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.482 ' O ' ' N ' ' A' ' 12' ' ' CYS . 3.8 t80 -91.67 128.62 37.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.928 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.526 ' HB1' ' O ' ' A' ' 10' ' ' TYR . . . -132.25 135.66 46.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.119 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.425 ' C ' ' HG2' ' A' ' 8' ' ' LYS . 13.8 t -124.66 162.86 23.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.779 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.491 ' N ' ' HG2' ' A' ' 8' ' ' LYS . . . -80.16 -26.76 39.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.119 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 32.5 mt -114.14 138.05 45.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.165 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -61.8 -56.22 21.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.88 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -39.54 -45.95 1.67 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.123 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -57.41 -47.58 81.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 20.8 tp -59.89 -48.5 81.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 12.6 t30 -43.21 -55.33 4.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 76.1 t -63.4 -44.46 98.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.097 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 68.2 t60 -47.94 -32.31 6.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.637 HD21 ' HD2' ' A' ' 13' ' ' PRO . 7.7 mt -75.35 -40.24 58.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.936 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 67.9 mtt180 -39.77 -25.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.479 ' N ' ' O ' ' A' ' 29' ' ' LEU . 46.2 mttt -88.16 -38.33 15.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.908 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.505 ' N ' ' O ' ' A' ' 29' ' ' LEU . 46.7 m-70 -64.39 -39.63 94.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.88 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.8 t -99.68 78.47 2.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.165 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -65.58 107.95 2.15 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.462 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -81.0 148.68 29.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.867 0.365 . . . . 0.0 110.926 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 42.4 mmtt . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 179.975 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.496 -0.241 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.7 m -158.75 128.81 5.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.936 0.398 . . . . 0.0 110.822 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 4' ' ' GLY . 20.1 m -129.85 -45.84 1.16 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.823 -179.804 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 3' ' ' SER . . . 36.96 -146.85 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.522 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 m -151.3 175.45 12.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.822 0.344 . . . . 0.0 110.89 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.1 t -132.59 122.62 25.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.99 -54.94 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.51 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.477 ' HG2' ' N ' ' A' ' 20' ' ' ALA . 0.5 OUTLIER -44.62 141.98 2.64 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.55 0.691 . . . . 0.0 110.941 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.583 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 53.9 Cg_endo -69.76 -50.95 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.689 2.259 . . . . 0.0 112.347 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.583 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 41.2 m-85 -67.23 128.47 36.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.411 ' HD3' ' C ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -119.97 150.19 40.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.927 179.896 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.458 ' N ' ' O ' ' A' ' 17' ' ' TYR . 48.5 t -84.17 129.57 57.86 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.594 0.711 . . . . 0.0 110.9 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.59 ' HD2' HD21 ' A' ' 29' ' ' LEU . 53.6 Cg_endo -69.77 -13.61 34.9 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.666 2.244 . . . . 0.0 112.35 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 -97.74 -64.29 1.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.941 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.468 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 18.0 p -110.19 -174.91 2.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.881 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.7 m -84.64 27.37 0.73 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.801 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.468 ' CB ' ' SG ' ' A' ' 15' ' ' CYS . 11.0 t80 -82.54 125.32 31.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.417 ' HB1' ' O ' ' A' ' 10' ' ' TYR . . . -129.36 131.2 46.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.112 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.431 ' C ' ' HG2' ' A' ' 8' ' ' LYS . 10.9 p -115.63 162.82 16.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.8 -179.721 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.477 ' N ' ' HG2' ' A' ' 8' ' ' LYS . . . -88.37 -14.94 36.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.122 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 24.8 mt -126.1 133.28 69.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.174 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 41.7 tptt -54.65 -55.12 32.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -47.87 -41.05 23.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.098 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -59.77 -41.4 91.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 13.2 tp -67.06 -46.66 73.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 25.7 m-20 -46.09 -45.81 16.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 88.9 t -69.84 -38.59 76.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.137 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 70.3 t60 -57.59 -36.93 72.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.59 HD21 ' HD2' ' A' ' 13' ' ' PRO . 8.7 mt -72.43 -41.86 65.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.897 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 73.5 mtp85 -39.73 -25.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.837 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 29' ' ' LEU . 4.2 mtpm? -89.41 -38.13 14.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.502 ' N ' ' O ' ' A' ' 29' ' ' LEU . 18.5 m-70 -56.33 -49.47 74.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.475 ' O ' HG23 ' A' ' 33' ' ' THR . 15.0 t -88.17 124.27 33.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.15 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 160.04 -82.02 0.14 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.461 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 33.9 tp10 -106.29 132.96 51.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.883 0.373 . . . . 0.0 110.842 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.1 tppp? . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 179.939 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.4 p -138.79 109.65 6.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.803 0.335 . . . . 0.0 110.845 -179.704 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -116.1 -61.52 1.72 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 60.55 67.1 2.29 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.473 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 t -119.49 59.11 0.86 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.912 0.387 . . . . 0.0 110.86 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.2 t -130.94 104.58 7.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.826 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.9 58.79 4.26 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.454 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.84 ' HB2' ' HB1' ' A' ' 18' ' ' ALA . 27.2 mmtt -119.32 143.02 33.47 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.552 0.691 . . . . 0.0 110.91 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.58 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 54.1 Cg_endo -69.7 -46.51 1.22 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.701 2.267 . . . . 0.0 112.348 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.58 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 28.6 m-85 -86.7 124.45 32.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.421 ' HD3' ' C ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -122.67 150.11 43.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.874 179.943 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 46.7 t -87.21 127.69 58.21 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.616 0.722 . . . . 0.0 110.889 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -15.58 37.14 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.681 2.254 . . . . 0.0 112.347 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 22.5 mm-40 -91.38 -58.32 2.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.945 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.426 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 19.1 p -116.92 -175.79 2.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 47.7 m -85.19 29.35 0.66 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.856 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.426 ' CB ' ' SG ' ' A' ' 15' ' ' CYS . 8.3 t80 -78.37 120.58 23.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.922 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.84 ' HB1' ' HB2' ' A' ' 8' ' ' LYS . . . -127.73 125.29 39.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.097 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 18.7 t -124.05 158.4 32.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.834 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -92.63 19.51 7.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.127 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 80.6 mt -146.07 130.24 11.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.108 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.453 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . 30.7 tttt -61.5 -42.29 98.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.64 -43.96 85.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.086 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -57.72 -50.93 71.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 18.4 tp -58.53 -49.82 76.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -42.98 -62.68 0.96 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 88.7 t -55.63 -48.07 78.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.142 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 76.8 t60 -45.13 -33.36 2.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.504 ' O ' ' N ' ' A' ' 32' ' ' HIS . 8.3 mt -72.86 -47.5 45.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.93 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -40.02 -25.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.837 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.485 ' N ' ' O ' ' A' ' 29' ' ' LEU . 28.8 mttm -87.47 -38.29 16.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.903 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.504 ' N ' ' O ' ' A' ' 29' ' ' LEU . 12.4 m-70 -57.8 -43.7 85.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.8 t -78.28 -40.9 35.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 57.51 -161.22 9.52 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.499 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -105.02 138.11 41.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.983 0.421 . . . . 0.0 110.87 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 17.0 tptt . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.87 179.989 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.44 -0.264 . . . . 0.0 112.44 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 m -49.78 -43.62 48.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.845 0.355 . . . . 0.0 110.828 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 m -125.05 121.84 35.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.916 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.83 -138.57 20.32 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.458 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.7 p -127.07 159.85 32.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.887 0.375 . . . . 0.0 110.861 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.3 t -113.8 91.6 3.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.88 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.54 80.74 0.1 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.488 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.6 mttp -102.3 142.36 24.42 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.559 0.695 . . . . 0.0 110.899 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.558 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 53.9 Cg_endo -69.77 -50.91 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.705 2.27 . . . . 0.0 112.314 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.558 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 38.0 m-85 -70.5 132.74 45.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.955 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -129.55 149.71 51.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 34.5 t -81.44 125.41 78.82 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.652 0.739 . . . . 0.0 110.876 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.512 ' HD2' HD21 ' A' ' 29' ' ' LEU . 53.9 Cg_endo -69.76 -9.04 25.13 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.652 2.235 . . . . 0.0 112.36 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 10.8 mm-40 -101.68 -62.92 1.19 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.933 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.3 p -113.5 -174.95 2.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 31.3 m -83.93 35.0 0.51 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.851 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.487 ' CD2' ' CE1' ' A' ' 28' ' ' HIS . 5.2 t80 -85.7 121.81 28.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -120.44 146.18 46.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.112 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 27.2 t -139.63 147.44 41.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.857 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.84 -24.75 52.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.093 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 37.7 mt -115.34 141.86 30.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.157 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.416 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . 33.8 tptt -60.55 -62.29 1.97 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.845 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -40.02 -40.81 1.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.109 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -57.88 -48.37 80.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 20.7 tp -64.51 -44.03 92.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -48.86 -48.45 41.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.441 ' HA ' ' CD ' ' A' ' 30' ' ' ARG . 84.8 t -66.11 -36.27 77.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.164 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.487 ' CE1' ' CD2' ' A' ' 17' ' ' TYR . 78.0 t60 -58.94 -35.5 73.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.859 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.512 HD21 ' HD2' ' A' ' 13' ' ' PRO . 8.0 mt -71.66 -40.14 69.85 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.888 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.441 ' CD ' ' HA ' ' A' ' 27' ' ' VAL . 42.7 mtp85 -40.53 -24.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 29' ' ' LEU . 32.7 mttp -92.51 -35.31 13.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.85 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.502 ' N ' ' O ' ' A' ' 29' ' ' LEU . 12.9 m-70 -62.22 -35.19 78.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.854 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.3 t -96.35 95.01 7.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.162 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.63 155.56 36.99 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.459 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 45.7 mm-40 -115.78 156.6 25.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.907 0.384 . . . . 0.0 110.886 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.415 ' C ' ' HD2' ' A' ' 36' ' ' LYS . 1.2 pptp? . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.853 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.7 p -98.67 -47.85 5.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.897 0.38 . . . . 0.0 110.88 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.9 p -110.92 81.65 1.47 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.832 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.59 83.69 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.475 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.7 m -124.84 42.24 3.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.887 0.375 . . . . 0.0 110.901 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.6 t -97.58 -57.8 2.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.898 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.31 76.5 1.32 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.487 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.2 mttp -65.27 142.71 98.58 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.586 0.708 . . . . 0.0 110.883 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.502 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 53.8 Cg_endo -69.75 -50.78 0.43 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.684 2.256 . . . . 0.0 112.341 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.502 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 51.7 m-85 -68.61 136.11 52.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.953 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -133.44 148.58 51.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.3 t -84.74 122.79 74.67 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.656 0.741 . . . . 0.0 110.801 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -9.74 26.86 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.671 2.248 . . . . 0.0 112.34 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -97.94 -59.46 1.76 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.417 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 15.9 p -118.74 -175.58 2.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.4 t -84.18 33.88 0.5 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.829 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.417 ' CB ' ' SG ' ' A' ' 15' ' ' CYS . 9.9 t80 -87.24 120.87 28.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -116.63 146.94 42.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.079 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.6 p -137.48 152.71 49.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -83.79 -19.99 34.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.085 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 72.3 mt -123.91 144.52 33.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.168 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.463 ' O ' ' N ' ' A' ' 25' ' ' LEU . 26.6 tptp -63.14 -63.55 1.16 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 22' ' ' LYS . . . -36.37 -45.99 0.51 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.083 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -57.05 -43.89 82.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.869 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.463 ' N ' ' O ' ' A' ' 22' ' ' LYS . 18.1 tp -65.21 -46.52 80.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 33.1 m-20 -45.75 -46.65 15.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 86.9 t -67.37 -43.06 88.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.174 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 80.4 t60 -52.47 -40.75 62.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.859 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.504 ' O ' ' N ' ' A' ' 32' ' ' HIS . 8.3 mt -68.23 -42.83 79.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.915 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 55.3 mtt180 -39.87 -25.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' A' ' 29' ' ' LEU . 57.7 mttt -90.43 -37.18 14.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.504 ' N ' ' O ' ' A' ' 29' ' ' LEU . 15.2 m-70 -58.28 -42.79 87.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.848 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.629 ' O ' HG23 ' A' ' 33' ' ' THR . 9.0 t -104.16 106.61 17.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.169 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -177.18 -61.76 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.478 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -43.8 157.36 0.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.98 0.419 . . . . 0.0 110.845 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.7 ttmt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.863 179.98 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.8 p -107.04 136.31 47.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.927 0.394 . . . . 0.0 110.808 -179.723 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.0 m -136.06 168.08 20.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.88 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.06 154.3 25.49 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.52 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m -109.12 -55.35 2.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.878 0.37 . . . . 0.0 110.863 -179.72 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.7 m -97.82 170.77 8.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.03 -132.1 3.24 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.472 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.486 ' HG2' ' N ' ' A' ' 20' ' ' ALA . 8.7 mptt -47.87 145.97 4.33 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.58 0.705 . . . . 0.0 110.923 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.568 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 53.8 Cg_endo -69.75 -50.82 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.659 2.239 . . . . 0.0 112.349 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.568 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 42.1 m-85 -68.19 126.11 28.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.433 ' HD3' ' C ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -126.97 150.2 49.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.911 179.908 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.3 t -85.25 127.46 63.81 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.652 0.739 . . . . 0.0 110.896 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.54 ' HD2' HD21 ' A' ' 29' ' ' LEU . 53.9 Cg_endo -69.77 -3.49 12.13 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.648 2.232 . . . . 0.0 112.362 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 17.9 mm-40 -105.83 -61.6 1.48 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.936 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.418 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 20.6 p -110.33 -177.75 3.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 21.4 t -85.94 31.2 0.63 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.418 ' CB ' ' SG ' ' A' ' 15' ' ' CYS . 51.6 t80 -82.67 138.3 34.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -140.96 135.64 31.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.133 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 17.0 t -129.6 157.22 42.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.863 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.486 ' N ' ' HG2' ' A' ' 8' ' ' LYS . . . -82.44 -22.82 35.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.114 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 49.7 mt -114.39 132.62 62.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.151 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.536 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . 11.7 tppt? -57.22 -57.56 12.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -40.29 -45.05 2.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.094 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -57.33 -48.87 77.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.884 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 20.5 tp -60.07 -47.7 84.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.957 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -45.72 -54.49 7.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 69.3 t -59.72 -43.43 91.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.127 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 65.1 t60 -51.37 -42.77 61.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.848 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.54 HD21 ' HD2' ' A' ' 13' ' ' PRO . 8.2 mt -65.57 -44.88 85.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 24.8 mtm180 -39.98 -25.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.83 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.484 ' N ' ' O ' ' A' ' 29' ' ' LEU . 10.5 mtpp -88.02 -38.15 15.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.888 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.503 ' N ' ' O ' ' A' ' 29' ' ' LEU . 12.8 m-70 -58.81 -46.61 87.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.797 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.641 ' O ' HG23 ' A' ' 33' ' ' THR . 9.6 t -78.69 80.59 5.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.18 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -130.76 160.58 23.25 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.474 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -111.49 40.29 2.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.925 0.393 . . . . 0.0 110.932 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.6 ttpm? . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.884 179.989 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.534 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.138 0 CA-C-O 120.779 0.241 . . . . 0.0 112.395 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.534 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 54.2 m-85 -73.08 118.96 16.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? -118.73 150.07 40.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.865 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.4 t -81.41 132.26 56.17 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.65 0.738 . . . . 0.0 110.867 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -9.87 27.19 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.721 2.281 . . . . 0.0 112.355 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 -104.01 -66.56 0.95 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.429 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 16.8 p -104.58 -178.84 3.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 69.6 p -84.83 32.66 0.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.879 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.435 ' CD1' ' C ' ' A' ' 17' ' ' TYR . 4.0 t80 -79.46 122.38 26.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.923 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -125.16 138.54 54.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.111 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 17.0 t -137.45 151.12 48.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.874 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.04 -29.07 57.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.053 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 30.4 mt -105.15 137.39 34.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.131 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.497 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . 2.9 ttmm -63.14 -59.52 4.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.903 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -41.03 -41.11 1.6 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.073 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -55.42 -48.1 74.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 21.6 tp -62.61 -42.54 99.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 26.9 m-20 -48.61 -51.68 26.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.539 HG22 ' CZ ' ' A' ' 30' ' ' ARG . 93.2 t -64.65 -37.36 79.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.139 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 78.0 t60 -55.4 -39.64 70.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.822 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.502 ' O ' ' N ' ' A' ' 32' ' ' HIS . 8.4 mt -68.57 -41.54 79.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.539 ' CZ ' HG22 ' A' ' 27' ' ' VAL . 55.0 mtt180 -40.01 -25.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 29' ' ' LEU . 12.2 mtpt -91.54 -36.53 13.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.502 ' N ' ' O ' ' A' ' 29' ' ' LEU . 11.7 m-70 -60.87 -42.27 97.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.859 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.6 t . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.14 -179.884 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.521 ' HG2' ' CD2' ' A' ' 10' ' ' TYR . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.154 0 CA-C-O 120.767 0.236 . . . . 0.0 112.373 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.521 ' CD2' ' HG2' ' A' ' 9' ' ' PRO . 37.9 m-85 -75.56 121.77 22.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.918 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.531 ' HG3' ' HB2' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -126.11 150.02 48.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.917 179.916 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 35.4 t -80.44 132.01 60.03 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.68 0.752 . . . . 0.0 110.871 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -16.35 37.66 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.676 2.251 . . . . 0.0 112.33 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.2 mm-40 -96.29 -62.08 1.33 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.446 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 17.7 p -110.97 -177.04 3.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.873 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 59.9 m -85.15 30.26 0.61 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.847 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.446 ' CB ' ' SG ' ' A' ' 15' ' ' CYS . 5.4 t80 -80.73 120.52 24.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.895 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.531 ' HB2' ' HG3' ' A' ' 11' ' ' LYS . . . -128.55 137.86 51.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.056 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.0 t -132.34 121.19 23.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -44.62 -22.99 0.09 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.113 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 59.2 mt -109.32 150.61 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.0 tptp -73.29 -62.21 1.55 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -38.87 -42.74 0.87 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.131 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -55.46 -49.8 71.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 15.6 tp -62.3 -46.59 88.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.444 ' HA ' HD12 ' A' ' 29' ' ' LEU . 8.1 t30 -49.75 -48.11 50.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 80.9 t -68.77 -31.95 52.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.154 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.478 ' HA ' ' CE ' ' A' ' 31' ' ' LYS . 74.5 t60 -62.47 -31.56 72.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.836 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.502 ' O ' ' N ' ' A' ' 32' ' ' HIS . 7.8 mt -72.77 -38.6 67.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.931 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 74.3 mtp85 -39.87 -25.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.484 ' N ' ' O ' ' A' ' 29' ' ' LEU . 17.4 mtmt -90.48 -37.24 14.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.502 ' N ' ' O ' ' A' ' 29' ' ' LEU . 16.6 m-70 -61.07 -42.62 98.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.836 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.5 t . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.122 -179.914 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.549 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 54.0 Cg_endo . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.749 0.229 . . . . 0.0 112.346 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.549 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 55.5 m-85 -74.49 128.57 35.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.502 ' CD ' ' O ' ' A' ' 9' ' ' PRO . 2.5 mptt -121.84 150.14 42.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.877 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.8 t -83.38 129.95 58.4 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.619 0.723 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.496 ' HD2' HD21 ' A' ' 29' ' ' LEU . 53.8 Cg_endo -69.74 -3.69 12.51 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.678 2.252 . . . . 0.0 112.34 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -108.23 -65.31 1.13 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.894 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.404 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 20.6 p -107.13 -176.18 3.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 77.8 p -86.01 30.43 0.67 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.858 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.404 ' CB ' ' SG ' ' A' ' 15' ' ' CYS . 57.9 t80 -81.24 133.41 35.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.912 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -134.95 134.37 40.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.104 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.9 t -128.43 154.79 45.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.83 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -80.27 -25.11 39.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.12 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 22.2 mt -108.12 131.18 59.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.173 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.19 -46.0 83.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.77 -44.18 73.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.111 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -52.27 -49.46 64.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.884 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 18.0 tp -63.39 -49.17 74.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.958 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.464 ' HA ' HD12 ' A' ' 29' ' ' LEU . 49.3 m-20 -42.84 -48.25 5.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.598 HG22 ' CZ ' ' A' ' 30' ' ' ARG . 93.9 t -68.09 -39.98 82.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.113 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 55.5 t60 -53.95 -32.71 54.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.826 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.501 ' O ' ' N ' ' A' ' 32' ' ' HIS . 8.2 mt -71.3 -41.25 70.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.598 ' CZ ' HG22 ' A' ' 27' ' ' VAL . 32.1 mtt180 -39.93 -25.29 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 29' ' ' LEU . 23.4 mttp -90.69 -37.06 13.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.501 ' N ' ' O ' ' A' ' 29' ' ' LEU . 13.8 m-70 -60.68 -50.46 73.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.836 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.8 t . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.119 -179.892 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.496 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 52.9 Cg_endo . . . . . 0 C--O 1.232 0.203 0 CA-C-O 120.813 0.256 . . . . 0.0 112.31 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.496 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 68.1 m-85 -71.68 119.83 16.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.913 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -115.46 150.08 37.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.89 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 47.3 t -85.47 128.33 59.66 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.622 0.725 . . . . 0.0 110.889 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -7.96 22.4 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.621 2.214 . . . . 0.0 112.371 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.5 mm-40 -100.88 -62.77 1.2 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 24.8 p -111.84 -176.34 2.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.5 m -85.52 34.12 0.58 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.825 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 77.7 t80 -82.94 134.44 35.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.905 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -130.36 131.21 45.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.086 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.3 p -122.96 151.94 41.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -79.08 -34.7 43.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.116 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 41.2 mt -109.25 143.99 18.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.118 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.408 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . 9.1 tptm -60.61 -58.57 7.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.868 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -43.72 -39.25 3.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.089 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 63.8 t-20 -58.26 -41.78 85.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 13.5 tp -67.47 -46.44 73.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 25.1 m-20 -44.28 -50.21 9.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 96.9 t -64.8 -38.69 83.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.143 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 78.7 t60 -56.72 -39.4 73.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.839 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.504 ' O ' ' N ' ' A' ' 32' ' ' HIS . 8.4 mt -71.27 -42.64 68.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.909 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 68.1 mtp180 -40.29 -25.07 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.828 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.469 ' N ' ' O ' ' A' ' 29' ' ' LEU . 12.2 mttm -91.49 -36.09 13.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.504 ' N ' ' O ' ' A' ' 29' ' ' LEU . 12.7 m-70 -61.45 -32.84 72.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.7 t . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.115 -179.914 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.546 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 54.3 Cg_endo . . . . . 0 C--O 1.231 0.174 0 CA-C-O 120.814 0.256 . . . . 0.0 112.393 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.546 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 50.8 m-85 -68.52 127.82 34.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.942 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.424 ' HG3' ' HB2' ' A' ' 18' ' ' ALA . 3.8 mptp? -125.44 150.15 47.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.866 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.7 t -83.59 131.49 52.24 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.644 0.735 . . . . 0.0 110.853 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.81 -17.87 37.08 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.7 2.267 . . . . 0.0 112.3 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -93.97 -59.0 2.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.477 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 14.3 p -114.32 -176.62 2.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 39.4 m -86.67 31.8 0.67 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.86 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.477 ' CB ' ' SG ' ' A' ' 15' ' ' CYS . 10.1 t80 -82.68 121.27 26.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.424 ' HB2' ' HG3' ' A' ' 11' ' ' LYS . . . -126.08 140.61 52.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.088 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.8 t -132.93 159.73 39.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -82.65 -19.77 37.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.067 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 48.4 mt -115.04 134.23 58.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.112 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.408 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -54.65 -57.64 10.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 179.81 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -46.07 -49.07 16.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.073 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -48.02 -29.54 3.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.902 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 18.1 tp -83.97 -43.85 14.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.944 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.437 ' C ' ' ND2' ' A' ' 26' ' ' ASN . 0.1 OUTLIER -51.76 -39.91 59.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 179.896 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 40.8 t -74.26 -34.65 37.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.109 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 73.0 t60 -60.44 -33.95 73.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.867 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.5 ' O ' ' N ' ' A' ' 32' ' ' HIS . 8.3 mt -71.53 -41.61 68.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.964 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 24.9 mtp180 -39.91 -25.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 29' ' ' LEU . 27.9 mttp -90.8 -37.26 13.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.5 ' N ' ' O ' ' A' ' 29' ' ' LEU . 13.9 m-70 -59.59 -41.77 91.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.0 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.18 -179.935 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.519 ' HG2' ' CD2' ' A' ' 10' ' ' TYR . 53.2 Cg_endo . . . . . 0 C--O 1.231 0.157 0 CA-C-O 120.816 0.257 . . . . 0.0 112.303 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.519 ' CD2' ' HG2' ' A' ' 9' ' ' PRO . 26.8 m-85 -73.75 122.34 22.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.427 ' HD3' ' C ' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -123.19 150.15 43.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.892 179.879 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.2 t -82.16 127.11 72.78 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.624 0.726 . . . . 0.0 110.866 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -10.23 28.04 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.643 2.229 . . . . 0.0 112.356 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -100.19 -62.83 1.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.4 p -111.67 -175.6 2.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.3 t -85.62 36.42 0.65 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -85.75 121.01 27.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.977 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -127.02 133.64 50.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.117 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 30.3 t -132.55 156.81 46.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.85 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.404 ' C ' HG13 ' A' ' 21' ' ' ILE . . . -89.91 16.69 7.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.077 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.404 HG13 ' C ' ' A' ' 20' ' ' ALA . 65.5 mt -147.58 123.04 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.105 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.424 ' HB2' ' CE1' ' A' ' 10' ' ' TYR . 9.3 ttmt -54.28 -57.01 12.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -44.21 -45.53 8.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.129 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -55.61 -49.44 72.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 21.6 tp -60.61 -46.38 90.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 29.4 m-20 -45.2 -48.25 12.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 87.6 t -69.22 -36.12 71.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.093 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -57.66 -31.29 66.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.503 ' O ' ' N ' ' A' ' 32' ' ' HIS . 8.0 mt -74.83 -40.14 61.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 27.8 mtp180 -40.28 -25.07 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 29' ' ' LEU . 22.4 mttp -91.98 -35.65 13.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.503 ' N ' ' O ' ' A' ' 29' ' ' LEU . 13.6 m-70 -62.09 -31.89 72.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.855 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.331 -0.23 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.14 -179.919 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.573 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.189 0 CA-C-O 120.829 0.262 . . . . 0.0 112.333 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.573 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 40.7 m-85 -75.58 124.39 27.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.511 ' HG3' ' HB2' ' A' ' 18' ' ' ALA . 1.6 mppt? -123.4 148.6 45.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.876 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 32.1 t -79.93 128.7 73.08 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.661 0.744 . . . . 0.0 110.86 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -9.19 25.51 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.654 2.236 . . . . 0.0 112.376 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -102.58 -60.25 1.57 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.929 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.446 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 15.9 p -113.23 -178.15 3.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.92 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.3 t -84.49 33.88 0.52 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.446 ' CB ' ' SG ' ' A' ' 15' ' ' CYS . 7.0 t80 -86.07 119.53 26.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.511 ' HB2' ' HG3' ' A' ' 11' ' ' LYS . . . -126.45 138.02 53.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.118 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.9 t -131.57 150.68 52.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.06 -24.6 63.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.116 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 24.2 mt -116.95 139.57 43.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.102 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.567 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . 14.1 ttmt -63.0 -59.94 4.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.442 ' C ' ' O ' ' A' ' 22' ' ' LYS . . . -34.54 -46.32 0.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.129 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -56.8 -47.97 79.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.917 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 22' ' ' LYS . 20.2 tp -61.52 -45.36 94.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.45 ' HA ' HD12 ' A' ' 29' ' ' LEU . 27.9 t-20 -47.07 -48.28 22.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 91.5 t -67.57 -41.21 85.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.118 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 65.2 t60 -53.09 -33.3 51.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.824 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.5 ' O ' ' N ' ' A' ' 32' ' ' HIS . 7.8 mt -71.92 -41.31 68.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 74.0 mtt-85 -39.94 -25.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.872 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 29' ' ' LEU . 24.1 mttm -90.14 -37.53 14.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.5 ' N ' ' O ' ' A' ' 29' ' ' LEU . 12.7 m-70 -57.66 -51.91 67.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.873 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 12.0 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 -179.926 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.466 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.802 0.251 . . . . 0.0 112.341 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.558 ' CE2' ' HB2' ' A' ' 22' ' ' LYS . 74.7 m-85 -74.02 136.91 43.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.6 mptp? -131.6 149.76 52.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.905 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 36.1 t -86.14 123.85 71.13 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.619 0.723 . . . . 0.0 110.846 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.558 ' HD2' HD21 ' A' ' 29' ' ' LEU . 53.6 Cg_endo -69.82 -7.61 21.51 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.698 2.266 . . . . 0.0 112.3 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -101.17 -61.02 1.42 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.949 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.441 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 14.7 p -115.95 -175.05 2.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.5 t -84.31 33.6 0.5 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.448 ' CD1' ' C ' ' A' ' 17' ' ' TYR . 4.8 t80 -89.87 125.79 35.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.913 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.443 ' HB1' ' O ' ' A' ' 10' ' ' TYR . . . -137.92 139.72 39.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.158 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.2 t -135.18 165.98 24.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.852 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -84.43 -24.56 29.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.135 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 44.3 mt -105.93 127.93 60.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.11 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.558 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . 39.7 tptt -58.56 -54.6 45.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -43.35 -44.74 5.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.119 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -56.17 -47.76 77.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 26.0 tp -62.98 -41.87 99.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -49.08 -53.93 18.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.858 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 94.1 t -62.95 -34.89 68.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.103 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 77.3 t60 -59.91 -37.43 79.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.846 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.558 HD21 ' HD2' ' A' ' 13' ' ' PRO . 8.2 mt -70.14 -40.57 74.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.946 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 36.2 mtt-85 -39.9 -25.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 29' ' ' LEU . 34.6 mttt -91.73 -36.62 13.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.501 ' N ' ' O ' ' A' ' 29' ' ' LEU . 14.2 m-70 -60.87 -43.55 98.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.84 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 12.1 t . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.147 -179.884 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.577 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 53.9 Cg_endo . . . . . 0 N--CA 1.466 -0.145 0 CA-C-O 120.858 0.274 . . . . 0.0 112.381 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.577 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 33.6 m-85 -74.39 121.99 22.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -121.95 146.33 47.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.908 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 17.4 t -73.67 128.44 86.96 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.658 0.742 . . . . 0.0 110.905 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.624 ' HD2' HD21 ' A' ' 29' ' ' LEU . 53.5 Cg_endo -69.77 -3.48 12.1 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.676 2.25 . . . . 0.0 112.3 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -110.46 -57.35 2.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.922 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.447 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 31.7 p -117.72 -175.2 2.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 17' ' ' TYR . 30.6 m -72.4 -17.58 61.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.74 ' CD2' ' CE1' ' A' ' 28' ' ' HIS . 4.2 t80 -34.42 127.73 0.45 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.944 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -140.04 144.0 36.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.082 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.6 t -138.39 142.18 39.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.72 -16.54 63.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.062 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 63.4 mt -116.52 132.74 65.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.137 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.5 tttt -57.38 -60.43 3.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -41.35 -44.53 2.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.133 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -55.39 -50.69 69.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 17.8 tp -60.94 -48.32 82.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.953 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 15.8 t30 -43.04 -51.27 5.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 87.7 t -62.72 -44.81 99.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.134 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.74 ' CE1' ' CD2' ' A' ' 17' ' ' TYR . 74.5 t60 -48.58 -38.27 20.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.624 HD21 ' HD2' ' A' ' 13' ' ' PRO . 8.1 mt -69.98 -43.78 70.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.972 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 33.4 mtp180 -39.86 -25.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.483 ' N ' ' O ' ' A' ' 29' ' ' LEU . 22.2 mttt -89.41 -38.32 14.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.898 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.496 ' N ' ' O ' ' A' ' 29' ' ' LEU . 17.8 m-70 -57.37 -39.36 75.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.8 t . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.132 -179.923 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.49 ' O ' ' CD ' ' A' ' 11' ' ' LYS . 54.5 Cg_endo . . . . . 0 C--O 1.231 0.153 0 CA-C-O 120.813 0.255 . . . . 0.0 112.348 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.486 ' CD2' ' HG2' ' A' ' 9' ' ' PRO . 52.8 m-85 -74.16 129.16 37.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.943 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.49 ' CD ' ' O ' ' A' ' 9' ' ' PRO . 3.8 mptt -118.78 149.97 40.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.87 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.7 t -85.81 133.72 40.95 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.631 0.729 . . . . 0.0 110.847 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -18.59 37.14 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.647 2.231 . . . . 0.0 112.369 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 35.4 mm-40 -92.55 -61.65 1.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.933 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 31.1 p -115.35 -176.58 2.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 31.5 t -84.79 29.59 0.61 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.846 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -79.01 120.7 23.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.958 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -125.34 130.28 51.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.112 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.4 t -119.88 157.74 28.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.827 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -89.51 9.88 24.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.107 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.451 HG22 ' H ' ' A' ' 23' ' ' ALA . 14.4 mm -138.99 113.06 7.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.167 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.469 ' HB2' ' CE1' ' A' ' 10' ' ' TYR . 14.8 tptp -42.69 -36.22 1.36 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.451 ' H ' HG22 ' A' ' 21' ' ' ILE . . . -73.31 -40.53 64.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.096 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.43 ' CG ' ' HB ' ' A' ' 21' ' ' ILE . 61.9 m-20 -54.71 -31.6 58.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 13.2 tp -77.48 -46.27 23.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.93 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 26.4 m-20 -47.51 -46.06 27.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 91.7 t -68.52 -37.59 77.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.131 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 68.5 t60 -55.03 -34.3 63.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.504 ' O ' ' N ' ' A' ' 32' ' ' HIS . 8.2 mt -72.27 -40.25 67.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 76.9 mtp85 -39.83 -25.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 29' ' ' LEU . 22.2 mttp -90.77 -37.13 13.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.504 ' N ' ' O ' ' A' ' 29' ' ' LEU . 12.1 m-70 -57.6 -44.91 85.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.842 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.0 t . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.123 -179.884 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.485 ' HG2' ' CD2' ' A' ' 10' ' ' TYR . 54.0 Cg_endo . . . . . 0 C--O 1.231 0.14 0 CA-C-O 120.772 0.238 . . . . 0.0 112.312 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.532 ' CE1' ' HB2' ' A' ' 22' ' ' LYS . 56.2 m-85 -71.85 127.8 33.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.926 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -124.12 150.05 45.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.91 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.0 t -84.69 123.87 73.72 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.572 0.701 . . . . 0.0 110.874 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -4.49 14.13 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.698 2.265 . . . . 0.0 112.342 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 34.0 mm-40 -104.84 -61.9 1.41 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 15.7 p -115.85 -175.23 2.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.94 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 71.5 p -84.15 34.69 0.51 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 20.8 t80 -86.66 120.99 28.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.918 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -120.06 138.59 53.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.134 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.6 t -132.35 154.08 50.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.876 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -86.8 -22.18 26.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.081 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 52.0 mt -115.29 123.83 71.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.109 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.532 ' HB2' ' CE1' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -49.11 -56.15 10.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 179.828 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -42.98 -47.17 5.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.14 179.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 65.9 m-20 -54.93 -51.53 65.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.906 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 18.4 tp -59.23 -45.83 90.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.942 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 32.3 m-20 -46.19 -46.87 17.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 97.6 t -69.41 -40.64 80.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.129 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -52.58 -31.16 34.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.501 ' O ' ' N ' ' A' ' 32' ' ' HIS . 7.9 mt -75.02 -40.15 60.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 65.7 mtp85 -39.95 -25.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 29' ' ' LEU . 22.5 mttt -91.32 -36.74 13.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.501 ' N ' ' O ' ' A' ' 29' ' ' LEU . 17.3 m-70 -60.12 -44.09 95.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.5 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.136 -179.939 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.572 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.17 0 CA-C-O 120.792 0.246 . . . . 0.0 112.347 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.572 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 35.0 m-85 -74.03 138.51 44.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -134.01 149.61 51.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.907 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.402 ' N ' ' O ' ' A' ' 17' ' ' TYR . 44.4 t -83.08 124.07 76.85 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.638 0.732 . . . . 0.0 110.854 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.557 ' HD2' HD21 ' A' ' 29' ' ' LEU . 54.1 Cg_endo -69.77 -11.52 30.99 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.661 2.241 . . . . 0.0 112.348 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -97.33 -61.7 1.36 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.895 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.426 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 14.9 p -114.98 -175.23 2.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 63.5 m -84.17 33.9 0.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.427 ' CD1' ' CD2' ' A' ' 28' ' ' HIS . 30.4 t80 -87.92 124.5 33.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.983 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -123.01 142.16 51.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.134 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 24.2 t -129.82 146.66 51.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.837 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.93 -22.67 52.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.1 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 30.3 mt -114.97 141.47 31.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.562 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . 13.6 tptm -60.05 -59.67 5.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -47.53 -42.84 24.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.071 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -52.35 -49.32 64.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.875 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 28.6 tp -62.37 -46.09 90.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.929 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 32.1 m-20 -43.73 -48.15 7.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 90.7 t -64.92 -41.09 91.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.114 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.427 ' CD2' ' CD1' ' A' ' 17' ' ' TYR . 83.1 t60 -54.21 -39.49 66.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.557 HD21 ' HD2' ' A' ' 13' ' ' PRO . 8.4 mt -69.73 -41.54 75.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.92 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 88.7 mtt180 -39.88 -25.38 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.905 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.474 ' N ' ' O ' ' A' ' 29' ' ' LEU . 21.6 mttm -92.43 -36.19 13.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.501 ' N ' ' O ' ' A' ' 29' ' ' LEU . 15.7 m-70 -61.12 -43.01 99.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.534 HG23 ' O ' ' A' ' 33' ' ' THR . 9.9 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.125 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.57 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.156 0 CA-C-O 120.792 0.247 . . . . 0.0 112.331 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.57 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 27.4 m-85 -77.34 127.55 32.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.434 ' HD3' ' C ' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -129.01 149.92 50.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.864 179.886 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.3 t -82.16 125.38 77.17 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.637 0.732 . . . . 0.0 110.897 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -10.91 29.76 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.68 2.254 . . . . 0.0 112.325 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -97.28 -61.18 1.44 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.962 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.6 p -113.06 -176.26 2.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.1 m -85.5 33.71 0.57 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 31.6 t80 -84.25 119.01 24.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.937 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -115.04 132.67 56.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.11 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.0 p -124.61 147.16 48.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.899 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -81.02 -21.87 39.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.078 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 34.7 mt -115.94 146.49 20.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.129 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.476 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . 18.9 tptp -67.81 -51.6 46.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 179.807 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.84 -41.88 58.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -56.23 -45.88 79.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 22.2 tp -61.84 -51.86 66.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -40.69 -49.97 3.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.864 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 88.6 t -64.69 -42.3 94.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.1 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -53.16 -41.33 65.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.502 ' O ' ' N ' ' A' ' 32' ' ' HIS . 8.5 mt -67.6 -42.7 82.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.948 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 47.5 mtt180 -39.93 -25.38 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 29' ' ' LEU . 39.4 mttt -91.22 -36.84 13.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.842 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.502 ' N ' ' O ' ' A' ' 29' ' ' LEU . 14.4 m-70 -60.55 -45.94 92.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.843 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.2 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.098 -179.853 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.513 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.159 0 CA-C-O 120.854 0.272 . . . . 0.0 112.38 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.513 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 50.4 m-85 -76.38 138.03 40.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.928 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -133.51 148.75 51.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.905 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 37.3 t -80.74 123.74 82.25 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.603 0.716 . . . . 0.0 110.888 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -2.01 9.42 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.687 2.258 . . . . 0.0 112.37 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -109.87 -60.52 1.78 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.45 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 10.9 p -115.21 -175.27 2.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.7 t -84.98 35.81 0.59 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.842 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.45 ' CB ' ' SG ' ' A' ' 15' ' ' CYS . 5.9 t80 -90.93 129.64 36.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -133.66 142.11 47.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.124 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 t -139.54 122.9 17.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.825 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -48.1 -19.33 0.26 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.067 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 50.9 mt -111.88 145.84 17.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.161 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.436 ' O ' ' N ' ' A' ' 25' ' ' LEU . 22.5 tptp -74.1 -65.63 0.82 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 22' ' ' LYS . . . -34.57 -42.44 0.15 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.076 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -58.8 -50.21 74.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' A' ' 22' ' ' LYS . 20.3 tp -56.94 -45.01 83.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.924 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.446 ' OD1' ' C ' ' A' ' 26' ' ' ASN . 3.2 t30 -48.48 -51.77 25.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 83.2 t -64.71 -40.63 89.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.111 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.42 ' CE1' ' CD2' ' A' ' 17' ' ' TYR . 73.6 t60 -52.09 -36.08 49.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.502 ' O ' ' N ' ' A' ' 32' ' ' HIS . 8.1 mt -72.44 -44.72 62.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.936 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 84.9 mtt180 -40.35 -24.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' A' ' 29' ' ' LEU . 40.5 mttt -89.11 -37.16 15.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.502 ' N ' ' O ' ' A' ' 29' ' ' LEU . 12.2 m-70 -56.37 -46.1 80.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.5 t . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.115 -179.899 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.541 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.154 0 CA-C-O 120.819 0.258 . . . . 0.0 112.326 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.541 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 54.2 m-85 -63.55 132.78 52.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.943 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -121.92 150.01 42.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.835 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.482 ' N ' ' O ' ' A' ' 17' ' ' TYR . 51.9 t -88.85 127.09 57.3 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.597 0.713 . . . . 0.0 110.91 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.637 ' HD2' HD21 ' A' ' 29' ' ' LEU . 53.7 Cg_endo -69.78 -19.09 36.46 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.633 2.222 . . . . 0.0 112.359 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.559 ' HG3' HD23 ' A' ' 29' ' ' LEU . 0.8 OUTLIER -87.08 -50.65 6.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.939 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.4 ' O ' ' O ' ' A' ' 12' ' ' CYS . 16.0 p -131.1 -174.89 3.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.0 t -83.75 35.86 0.53 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.852 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.482 ' O ' ' N ' ' A' ' 12' ' ' CYS . 3.8 t80 -91.67 128.62 37.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.928 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.526 ' HB1' ' O ' ' A' ' 10' ' ' TYR . . . -132.25 135.66 46.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.119 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.8 t -124.66 162.86 23.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -80.16 -26.76 39.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.119 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 32.5 mt -114.14 138.05 45.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.165 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -61.8 -56.22 21.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.88 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -39.54 -45.95 1.67 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.123 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -57.41 -47.58 81.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 20.8 tp -59.89 -48.5 81.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 12.6 t30 -43.21 -55.33 4.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 76.1 t -63.4 -44.46 98.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.097 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 68.2 t60 -47.94 -32.31 6.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.637 HD21 ' HD2' ' A' ' 13' ' ' PRO . 7.7 mt -75.35 -40.24 58.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.936 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 67.9 mtt180 -39.77 -25.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.479 ' N ' ' O ' ' A' ' 29' ' ' LEU . 46.2 mttt -88.16 -38.33 15.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.908 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.505 ' N ' ' O ' ' A' ' 29' ' ' LEU . 46.7 m-70 -64.39 -39.63 94.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.88 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.165 -179.927 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.583 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 53.9 Cg_endo . . . . . 0 N--CA 1.465 -0.166 0 CA-C-O 120.801 0.251 . . . . 0.0 112.347 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.583 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 41.2 m-85 -67.23 128.47 36.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.411 ' HD3' ' C ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -119.97 150.19 40.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.927 179.896 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.458 ' N ' ' O ' ' A' ' 17' ' ' TYR . 48.5 t -84.17 129.57 57.86 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.594 0.711 . . . . 0.0 110.9 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.59 ' HD2' HD21 ' A' ' 29' ' ' LEU . 53.6 Cg_endo -69.77 -13.61 34.9 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.666 2.244 . . . . 0.0 112.35 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 -97.74 -64.29 1.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.941 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.468 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 18.0 p -110.19 -174.91 2.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.881 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.7 m -84.64 27.37 0.73 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.801 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.468 ' CB ' ' SG ' ' A' ' 15' ' ' CYS . 11.0 t80 -82.54 125.32 31.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.417 ' HB1' ' O ' ' A' ' 10' ' ' TYR . . . -129.36 131.2 46.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.112 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.9 p -115.63 162.82 16.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.8 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -88.37 -14.94 36.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.122 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 24.8 mt -126.1 133.28 69.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.174 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 41.7 tptt -54.65 -55.12 32.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -47.87 -41.05 23.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.098 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -59.77 -41.4 91.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 13.2 tp -67.06 -46.66 73.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 25.7 m-20 -46.09 -45.81 16.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 88.9 t -69.84 -38.59 76.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.137 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 70.3 t60 -57.59 -36.93 72.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.59 HD21 ' HD2' ' A' ' 13' ' ' PRO . 8.7 mt -72.43 -41.86 65.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.897 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 73.5 mtp85 -39.73 -25.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.837 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 29' ' ' LEU . 4.2 mtpm? -89.41 -38.13 14.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.502 ' N ' ' O ' ' A' ' 29' ' ' LEU . 18.5 m-70 -56.33 -49.47 74.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.475 HG23 ' O ' ' A' ' 33' ' ' THR . 15.0 t . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.15 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.58 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.164 0 CA-C-O 120.772 0.238 . . . . 0.0 112.348 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.58 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 28.6 m-85 -86.7 124.45 32.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.421 ' HD3' ' C ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -122.67 150.11 43.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.874 179.943 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 46.7 t -87.21 127.69 58.21 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.616 0.722 . . . . 0.0 110.889 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -15.58 37.14 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.681 2.254 . . . . 0.0 112.347 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 22.5 mm-40 -91.38 -58.32 2.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.945 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.426 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 19.1 p -116.92 -175.79 2.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 47.7 m -85.19 29.35 0.66 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.856 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.426 ' CB ' ' SG ' ' A' ' 15' ' ' CYS . 8.3 t80 -78.37 120.58 23.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.922 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -127.73 125.29 39.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.097 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 18.7 t -124.05 158.4 32.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.834 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -92.63 19.51 7.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.127 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 80.6 mt -146.07 130.24 11.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.108 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.453 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . 30.7 tttt -61.5 -42.29 98.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.64 -43.96 85.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.086 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -57.72 -50.93 71.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 18.4 tp -58.53 -49.82 76.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -42.98 -62.68 0.96 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 88.7 t -55.63 -48.07 78.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.142 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 76.8 t60 -45.13 -33.36 2.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.504 ' O ' ' N ' ' A' ' 32' ' ' HIS . 8.3 mt -72.86 -47.5 45.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.93 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -40.02 -25.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.837 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.485 ' N ' ' O ' ' A' ' 29' ' ' LEU . 28.8 mttm -87.47 -38.29 16.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.903 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.504 ' N ' ' O ' ' A' ' 29' ' ' LEU . 12.4 m-70 -57.8 -43.7 85.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.8 t . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 -179.917 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.558 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.135 0 CA-C-O 120.831 0.263 . . . . 0.0 112.314 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.558 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 38.0 m-85 -70.5 132.74 45.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.955 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -129.55 149.71 51.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 34.5 t -81.44 125.41 78.82 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.652 0.739 . . . . 0.0 110.876 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.512 ' HD2' HD21 ' A' ' 29' ' ' LEU . 53.9 Cg_endo -69.76 -9.04 25.13 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.652 2.235 . . . . 0.0 112.36 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -101.68 -62.92 1.19 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.933 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.3 p -113.5 -174.95 2.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 31.3 m -83.93 35.0 0.51 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.851 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.487 ' CD2' ' CE1' ' A' ' 28' ' ' HIS . 5.2 t80 -85.7 121.81 28.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -120.44 146.18 46.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.112 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 27.2 t -139.63 147.44 41.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.857 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.84 -24.75 52.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.093 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 37.7 mt -115.34 141.86 30.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.157 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.416 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . 33.8 tptt -60.55 -62.29 1.97 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.845 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -40.02 -40.81 1.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.109 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -57.88 -48.37 80.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 20.7 tp -64.51 -44.03 92.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -48.86 -48.45 41.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.441 ' HA ' ' CD ' ' A' ' 30' ' ' ARG . 84.8 t -66.11 -36.27 77.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.164 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.487 ' CE1' ' CD2' ' A' ' 17' ' ' TYR . 78.0 t60 -58.94 -35.5 73.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.859 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.512 HD21 ' HD2' ' A' ' 13' ' ' PRO . 8.0 mt -71.66 -40.14 69.85 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.888 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.441 ' CD ' ' HA ' ' A' ' 27' ' ' VAL . 42.7 mtp85 -40.53 -24.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 29' ' ' LEU . 32.7 mttp -92.51 -35.31 13.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.85 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.502 ' N ' ' O ' ' A' ' 29' ' ' LEU . 12.9 m-70 -62.22 -35.19 78.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.854 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.3 t . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.162 -179.941 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.502 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.191 0 CA-C-O 120.771 0.238 . . . . 0.0 112.341 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.502 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 51.7 m-85 -68.61 136.11 52.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.953 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -133.44 148.58 51.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.3 t -84.74 122.79 74.67 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.656 0.741 . . . . 0.0 110.801 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -9.74 26.86 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.671 2.248 . . . . 0.0 112.34 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -97.94 -59.46 1.76 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.417 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 15.9 p -118.74 -175.58 2.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.4 t -84.18 33.88 0.5 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.829 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.417 ' CB ' ' SG ' ' A' ' 15' ' ' CYS . 9.9 t80 -87.24 120.87 28.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -116.63 146.94 42.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.079 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.6 p -137.48 152.71 49.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -83.79 -19.99 34.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.085 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 72.3 mt -123.91 144.52 33.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.168 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.463 ' O ' ' N ' ' A' ' 25' ' ' LEU . 26.6 tptp -63.14 -63.55 1.16 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 22' ' ' LYS . . . -36.37 -45.99 0.51 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.083 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -57.05 -43.89 82.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.869 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.463 ' N ' ' O ' ' A' ' 22' ' ' LYS . 18.1 tp -65.21 -46.52 80.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 33.1 m-20 -45.75 -46.65 15.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 86.9 t -67.37 -43.06 88.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.174 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 80.4 t60 -52.47 -40.75 62.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.859 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.504 ' O ' ' N ' ' A' ' 32' ' ' HIS . 8.3 mt -68.23 -42.83 79.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.915 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 55.3 mtt180 -39.87 -25.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' A' ' 29' ' ' LEU . 57.7 mttt -90.43 -37.18 14.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.504 ' N ' ' O ' ' A' ' 29' ' ' LEU . 15.2 m-70 -58.28 -42.79 87.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.848 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.629 HG23 ' O ' ' A' ' 33' ' ' THR . 9.0 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.169 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.568 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.168 0 CA-C-O 120.752 0.23 . . . . 0.0 112.349 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.568 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 42.1 m-85 -68.19 126.11 28.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.433 ' HD3' ' C ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -126.97 150.2 49.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.911 179.908 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.3 t -85.25 127.46 63.81 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.652 0.739 . . . . 0.0 110.896 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.54 ' HD2' HD21 ' A' ' 29' ' ' LEU . 53.9 Cg_endo -69.77 -3.49 12.13 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.648 2.232 . . . . 0.0 112.362 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 17.9 mm-40 -105.83 -61.6 1.48 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.936 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.418 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 20.6 p -110.33 -177.75 3.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 21.4 t -85.94 31.2 0.63 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.418 ' CB ' ' SG ' ' A' ' 15' ' ' CYS . 51.6 t80 -82.67 138.3 34.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -140.96 135.64 31.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.133 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 17.0 t -129.6 157.22 42.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.863 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -82.44 -22.82 35.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.114 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 49.7 mt -114.39 132.62 62.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.151 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.536 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . 11.7 tppt? -57.22 -57.56 12.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -40.29 -45.05 2.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.094 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -57.33 -48.87 77.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.884 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 20.5 tp -60.07 -47.7 84.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.957 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -45.72 -54.49 7.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 69.3 t -59.72 -43.43 91.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.127 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 65.1 t60 -51.37 -42.77 61.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.848 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.54 HD21 ' HD2' ' A' ' 13' ' ' PRO . 8.2 mt -65.57 -44.88 85.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 24.8 mtm180 -39.98 -25.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.83 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.484 ' N ' ' O ' ' A' ' 29' ' ' LEU . 10.5 mtpp -88.02 -38.15 15.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.888 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.503 ' N ' ' O ' ' A' ' 29' ' ' LEU . 12.8 m-70 -58.81 -46.61 87.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.797 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.641 HG23 ' O ' ' A' ' 33' ' ' THR . 9.6 t . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.18 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.494 -0.243 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.8 p -47.33 114.31 0.85 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.887 0.375 . . . . 0.0 110.872 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.3 t -167.16 146.84 5.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.843 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.3 158.77 5.06 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.483 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.7 m -120.03 106.94 12.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.871 0.367 . . . . 0.0 110.836 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.4 m -83.91 151.8 24.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.06 -82.12 0.18 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.472 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.676 ' HD2' ' HB2' ' A' ' 20' ' ' ALA . 36.1 mmtm -63.55 148.28 94.2 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.567 0.699 . . . . 0.0 110.914 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.534 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 53.9 Cg_endo -69.74 -47.05 1.02 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.642 2.228 . . . . 0.0 112.395 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.534 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 54.2 m-85 -73.08 118.96 16.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.464 ' CE ' ' O ' ' A' ' 8' ' ' LYS . 2.8 mptp? -118.73 150.07 40.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.865 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.4 t -81.41 132.26 56.17 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.65 0.738 . . . . 0.0 110.867 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -9.87 27.19 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.721 2.281 . . . . 0.0 112.355 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 -104.01 -66.56 0.95 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.429 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 16.8 p -104.58 -178.84 3.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 69.6 p -84.83 32.66 0.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.879 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.435 ' CD1' ' C ' ' A' ' 17' ' ' TYR . 4.0 t80 -79.46 122.38 26.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.923 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.519 ' HB1' ' HB2' ' A' ' 8' ' ' LYS . . . -125.16 138.54 54.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.111 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.42 ' C ' ' HB3' ' A' ' 8' ' ' LYS . 17.0 t -137.45 151.12 48.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.874 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.676 ' HB2' ' HD2' ' A' ' 8' ' ' LYS . . . -76.04 -29.07 57.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.053 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 30.4 mt -105.15 137.39 34.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.131 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.497 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . 2.9 ttmm -63.14 -59.52 4.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.903 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -41.03 -41.11 1.6 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.073 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -55.42 -48.1 74.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 21.6 tp -62.61 -42.54 99.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 26.9 m-20 -48.61 -51.68 26.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.539 HG22 ' CZ ' ' A' ' 30' ' ' ARG . 93.2 t -64.65 -37.36 79.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.139 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 78.0 t60 -55.4 -39.64 70.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.822 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.502 ' O ' ' N ' ' A' ' 32' ' ' HIS . 8.4 mt -68.57 -41.54 79.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.539 ' CZ ' HG22 ' A' ' 27' ' ' VAL . 55.0 mtt180 -40.01 -25.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 29' ' ' LEU . 12.2 mtpt -91.54 -36.53 13.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.502 ' N ' ' O ' ' A' ' 29' ' ' LEU . 11.7 m-70 -60.87 -42.27 97.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.859 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.6 t -86.86 40.11 0.89 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.14 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -165.32 130.97 2.27 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.456 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -156.99 164.8 37.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.921 0.391 . . . . 0.0 110.873 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 36.6 tptt . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.892 179.937 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.8 p -102.57 83.89 2.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.817 0.341 . . . . 0.0 110.868 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.5 t -133.02 -61.23 0.84 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.08 46.06 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.524 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.5 m -128.64 115.26 17.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.919 0.39 . . . . 0.0 110.846 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 84.1 p -129.34 -51.4 1.18 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.859 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 124.47 69.93 0.21 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.483 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.6 mttp -144.35 144.22 24.78 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.57 0.7 . . . . 0.0 110.894 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.521 ' HG2' ' CD2' ' A' ' 10' ' ' TYR . 54.1 Cg_endo -69.72 -48.74 0.66 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.68 2.253 . . . . 0.0 112.373 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.521 ' CD2' ' HG2' ' A' ' 9' ' ' PRO . 37.9 m-85 -75.56 121.77 22.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.918 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.531 ' HG3' ' HB2' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -126.11 150.02 48.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.917 179.916 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 35.4 t -80.44 132.01 60.03 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.68 0.752 . . . . 0.0 110.871 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -16.35 37.66 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.676 2.251 . . . . 0.0 112.33 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.2 mm-40 -96.29 -62.08 1.33 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.446 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 17.7 p -110.97 -177.04 3.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.873 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 59.9 m -85.15 30.26 0.61 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.847 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.446 ' CB ' ' SG ' ' A' ' 15' ' ' CYS . 5.4 t80 -80.73 120.52 24.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.895 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.531 ' HB2' ' HG3' ' A' ' 11' ' ' LYS . . . -128.55 137.86 51.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.056 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.0 t -132.34 121.19 23.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -44.62 -22.99 0.09 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.113 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 59.2 mt -109.32 150.61 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.0 tptp -73.29 -62.21 1.55 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -38.87 -42.74 0.87 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.131 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -55.46 -49.8 71.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 15.6 tp -62.3 -46.59 88.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.444 ' HA ' HD12 ' A' ' 29' ' ' LEU . 8.1 t30 -49.75 -48.11 50.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 80.9 t -68.77 -31.95 52.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.154 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.478 ' HA ' ' CE ' ' A' ' 31' ' ' LYS . 74.5 t60 -62.47 -31.56 72.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.836 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.502 ' O ' ' N ' ' A' ' 32' ' ' HIS . 7.8 mt -72.77 -38.6 67.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.931 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 74.3 mtp85 -39.87 -25.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.484 ' N ' ' O ' ' A' ' 29' ' ' LEU . 17.4 mtmt -90.48 -37.24 14.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.502 ' N ' ' O ' ' A' ' 29' ' ' LEU . 16.6 m-70 -61.07 -42.62 98.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.836 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.5 t -100.15 39.94 1.3 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.122 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -134.91 -80.66 0.13 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.503 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.3 tm-20 -79.47 118.89 21.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.944 0.402 . . . . 0.0 110.889 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.7 tptm . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.901 179.992 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.5 p -75.07 117.94 17.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.916 0.388 . . . . 0.0 110.854 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 t -110.69 85.32 2.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.39 128.62 5.96 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.509 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.4 m -102.62 88.96 3.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.862 0.363 . . . . 0.0 110.854 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.3 p -77.18 94.86 4.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.865 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.408 ' C ' ' HD2' ' A' ' 8' ' ' LYS . . . 178.49 31.39 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.467 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.483 ' HG2' ' N ' ' A' ' 20' ' ' ALA . 5.5 mptt -139.21 153.08 70.88 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.542 0.687 . . . . 0.0 110.949 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.549 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 54.0 Cg_endo -69.71 -46.01 1.4 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.686 2.257 . . . . 0.0 112.346 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.549 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 55.5 m-85 -74.49 128.57 35.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.502 ' CD ' ' O ' ' A' ' 9' ' ' PRO . 2.5 mptt -121.84 150.14 42.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.877 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.8 t -83.38 129.95 58.4 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.619 0.723 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.496 ' HD2' HD21 ' A' ' 29' ' ' LEU . 53.8 Cg_endo -69.74 -3.69 12.51 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.678 2.252 . . . . 0.0 112.34 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -108.23 -65.31 1.13 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.894 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.404 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 20.6 p -107.13 -176.18 3.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 77.8 p -86.01 30.43 0.67 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.858 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.404 ' CB ' ' SG ' ' A' ' 15' ' ' CYS . 57.9 t80 -81.24 133.41 35.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.912 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -134.95 134.37 40.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.104 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.9 t -128.43 154.79 45.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.83 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.483 ' N ' ' HG2' ' A' ' 8' ' ' LYS . . . -80.27 -25.11 39.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.12 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 22.2 mt -108.12 131.18 59.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.173 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.19 -46.0 83.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.77 -44.18 73.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.111 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -52.27 -49.46 64.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.884 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 18.0 tp -63.39 -49.17 74.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.958 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.464 ' HA ' HD12 ' A' ' 29' ' ' LEU . 49.3 m-20 -42.84 -48.25 5.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.598 HG22 ' CZ ' ' A' ' 30' ' ' ARG . 93.9 t -68.09 -39.98 82.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.113 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 55.5 t60 -53.95 -32.71 54.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.826 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.501 ' O ' ' N ' ' A' ' 32' ' ' HIS . 8.2 mt -71.3 -41.25 70.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.598 ' CZ ' HG22 ' A' ' 27' ' ' VAL . 32.1 mtt180 -39.93 -25.29 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 29' ' ' LEU . 23.4 mttp -90.69 -37.06 13.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.501 ' N ' ' O ' ' A' ' 29' ' ' LEU . 13.8 m-70 -60.68 -50.46 73.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.836 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.8 t -94.56 40.16 1.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.119 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -120.29 -58.89 0.24 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.508 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -130.6 144.67 51.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.911 0.386 . . . . 0.0 110.893 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.7 mmmt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 179.946 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 m -116.2 -46.1 2.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.905 0.384 . . . . 0.0 110.854 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.5 p -58.75 117.2 4.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -106.82 144.52 15.87 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.474 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 6' ' ' SER . 4.6 t -97.15 72.45 2.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.85 0.357 . . . . 0.0 110.862 -179.723 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 5' ' ' SER . 4.2 m 34.53 43.99 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.87 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.32 -52.2 1.01 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.527 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.686 ' HD2' ' HB2' ' A' ' 20' ' ' ALA . 23.1 mmtt -73.15 152.59 90.51 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.579 0.704 . . . . 0.0 110.905 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.496 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 52.9 Cg_endo -69.83 -48.17 0.76 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.679 2.252 . . . . 0.0 112.31 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.496 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 68.1 m-85 -71.68 119.83 16.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.913 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -115.46 150.08 37.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.89 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 47.3 t -85.47 128.33 59.66 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.622 0.725 . . . . 0.0 110.889 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -7.96 22.4 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.621 2.214 . . . . 0.0 112.371 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.5 mm-40 -100.88 -62.77 1.2 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 24.8 p -111.84 -176.34 2.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.5 m -85.52 34.12 0.58 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.825 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 77.7 t80 -82.94 134.44 35.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.905 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.411 ' HB1' ' HB2' ' A' ' 8' ' ' LYS . . . -130.36 131.21 45.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.086 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.3 p -122.96 151.94 41.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.686 ' HB2' ' HD2' ' A' ' 8' ' ' LYS . . . -79.08 -34.7 43.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.116 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 41.2 mt -109.25 143.99 18.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.118 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.408 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . 9.1 tptm -60.61 -58.57 7.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.868 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -43.72 -39.25 3.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.089 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 63.8 t-20 -58.26 -41.78 85.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 13.5 tp -67.47 -46.44 73.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 25.1 m-20 -44.28 -50.21 9.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 96.9 t -64.8 -38.69 83.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.143 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 78.7 t60 -56.72 -39.4 73.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.839 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.504 ' O ' ' N ' ' A' ' 32' ' ' HIS . 8.4 mt -71.27 -42.64 68.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.909 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 68.1 mtp180 -40.29 -25.07 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.828 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.469 ' N ' ' O ' ' A' ' 29' ' ' LEU . 12.2 mttm -91.49 -36.09 13.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.504 ' N ' ' O ' ' A' ' 29' ' ' LEU . 12.7 m-70 -61.45 -32.84 72.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.7 t -108.04 85.1 2.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.115 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 152.78 -62.83 0.38 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.526 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -74.09 132.28 42.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.914 0.388 . . . . 0.0 110.897 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 35.1 mttp . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 179.992 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.547 -0.221 . . . . 0.0 112.547 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.0 m -100.09 -50.96 3.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.891 0.377 . . . . 0.0 110.854 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.9 t -109.71 118.72 37.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.835 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.33 50.73 0.46 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.448 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.2 t -122.69 41.03 3.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.873 0.368 . . . . 0.0 110.882 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m -61.23 107.9 0.83 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.2 -51.8 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.496 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.431 ' HG2' ' C ' ' A' ' 19' ' ' SER . 9.4 mptt -82.74 143.28 46.58 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.641 0.734 . . . . 0.0 110.879 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.546 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 54.3 Cg_endo -69.72 -50.75 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.663 2.242 . . . . 0.0 112.393 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.546 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 50.8 m-85 -68.52 127.82 34.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.942 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.424 ' HG3' ' HB2' ' A' ' 18' ' ' ALA . 3.8 mptp? -125.44 150.15 47.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.866 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.7 t -83.59 131.49 52.24 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.644 0.735 . . . . 0.0 110.853 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.81 -17.87 37.08 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.7 2.267 . . . . 0.0 112.3 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -93.97 -59.0 2.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.477 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 14.3 p -114.32 -176.62 2.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 39.4 m -86.67 31.8 0.67 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.86 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.477 ' CB ' ' SG ' ' A' ' 15' ' ' CYS . 10.1 t80 -82.68 121.27 26.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.424 ' HB2' ' HG3' ' A' ' 11' ' ' LYS . . . -126.08 140.61 52.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.088 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.431 ' C ' ' HG2' ' A' ' 8' ' ' LYS . 1.8 t -132.93 159.73 39.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 -179.788 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.407 ' N ' ' HG2' ' A' ' 8' ' ' LYS . . . -82.65 -19.77 37.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.067 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 48.4 mt -115.04 134.23 58.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.112 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.408 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -54.65 -57.64 10.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 179.81 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -46.07 -49.07 16.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.073 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -48.02 -29.54 3.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.902 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 18.1 tp -83.97 -43.85 14.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.944 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.437 ' C ' ' ND2' ' A' ' 26' ' ' ASN . 0.1 OUTLIER -51.76 -39.91 59.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 179.896 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 40.8 t -74.26 -34.65 37.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.109 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 73.0 t60 -60.44 -33.95 73.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.867 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.5 ' O ' ' N ' ' A' ' 32' ' ' HIS . 8.3 mt -71.53 -41.61 68.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.964 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 24.9 mtp180 -39.91 -25.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 29' ' ' LEU . 27.9 mttp -90.8 -37.26 13.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.5 ' N ' ' O ' ' A' ' 29' ' ' LEU . 13.9 m-70 -59.59 -41.77 91.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.0 t -86.12 145.57 26.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.18 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 35' ' ' GLU . . . 74.58 54.4 6.04 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.48 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 34' ' ' GLY . 69.0 mt-10 -34.54 133.8 0.24 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.896 0.379 . . . . 0.0 110.853 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.5 t -105.92 95.13 5.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.85 0.357 . . . . 0.0 110.883 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.8 p -172.13 140.38 1.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.828 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -122.04 -48.18 0.27 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.458 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.4 m -43.42 -47.08 6.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.889 0.376 . . . . 0.0 110.852 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.4 t -91.06 94.02 9.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.84 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.09 165.37 54.08 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.502 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.486 ' HG2' ' N ' ' A' ' 20' ' ' ALA . 6.4 mptt -86.67 143.97 36.63 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.625 0.726 . . . . 0.0 110.899 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.519 ' HG2' ' CD2' ' A' ' 10' ' ' TYR . 53.2 Cg_endo -69.8 -46.81 1.08 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.712 2.275 . . . . 0.0 112.303 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.519 ' CD2' ' HG2' ' A' ' 9' ' ' PRO . 26.8 m-85 -73.75 122.34 22.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.427 ' HD3' ' C ' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -123.19 150.15 43.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.892 179.879 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.2 t -82.16 127.11 72.78 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.624 0.726 . . . . 0.0 110.866 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -10.23 28.04 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.643 2.229 . . . . 0.0 112.356 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -100.19 -62.83 1.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.4 p -111.67 -175.6 2.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.3 t -85.62 36.42 0.65 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -85.75 121.01 27.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.977 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -127.02 133.64 50.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.117 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.407 ' C ' ' HG2' ' A' ' 8' ' ' LYS . 30.3 t -132.55 156.81 46.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.85 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.486 ' N ' ' HG2' ' A' ' 8' ' ' LYS . . . -89.91 16.69 7.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.077 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.404 HG13 ' C ' ' A' ' 20' ' ' ALA . 65.5 mt -147.58 123.04 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.105 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.424 ' HB2' ' CE1' ' A' ' 10' ' ' TYR . 9.3 ttmt -54.28 -57.01 12.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -44.21 -45.53 8.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.129 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -55.61 -49.44 72.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 21.6 tp -60.61 -46.38 90.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 29.4 m-20 -45.2 -48.25 12.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 87.6 t -69.22 -36.12 71.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.093 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -57.66 -31.29 66.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.503 ' O ' ' N ' ' A' ' 32' ' ' HIS . 8.0 mt -74.83 -40.14 61.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 27.8 mtp180 -40.28 -25.07 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 29' ' ' LEU . 22.4 mttp -91.98 -35.65 13.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.503 ' N ' ' O ' ' A' ' 29' ' ' LEU . 13.6 m-70 -62.09 -31.89 72.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.855 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.8 t -113.11 75.6 0.93 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.14 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 105.18 -147.51 16.29 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.482 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -142.74 136.8 29.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.894 0.378 . . . . 0.0 110.882 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 19.2 mmtp . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.852 179.967 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.439 -0.265 . . . . 0.0 112.439 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.2 t -128.99 151.5 49.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.871 0.367 . . . . 0.0 110.928 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.7 m -122.3 166.09 15.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.83 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.66 46.74 2.44 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.486 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.2 t -98.53 -45.17 6.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.893 0.378 . . . . 0.0 110.892 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.6 m 50.3 43.48 26.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.887 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.34 -152.31 3.38 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.453 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.639 ' HD2' ' HB2' ' A' ' 20' ' ' ALA . 30.8 mmtm -133.45 148.92 70.78 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.568 0.699 . . . . 0.0 110.919 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.573 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 53.8 Cg_endo -69.7 -47.43 0.95 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.719 2.28 . . . . 0.0 112.333 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.573 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 40.7 m-85 -75.58 124.39 27.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.511 ' HG3' ' HB2' ' A' ' 18' ' ' ALA . 1.6 mppt? -123.4 148.6 45.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.876 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 32.1 t -79.93 128.7 73.08 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.661 0.744 . . . . 0.0 110.86 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -9.19 25.51 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.654 2.236 . . . . 0.0 112.376 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -102.58 -60.25 1.57 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.929 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.446 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 15.9 p -113.23 -178.15 3.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.92 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.3 t -84.49 33.88 0.52 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.446 ' CB ' ' SG ' ' A' ' 15' ' ' CYS . 7.0 t80 -86.07 119.53 26.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.511 ' HB2' ' HG3' ' A' ' 11' ' ' LYS . . . -126.45 138.02 53.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.118 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.9 t -131.57 150.68 52.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.639 ' HB2' ' HD2' ' A' ' 8' ' ' LYS . . . -70.06 -24.6 63.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.116 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 24.2 mt -116.95 139.57 43.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.102 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.567 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . 14.1 ttmt -63.0 -59.94 4.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.442 ' C ' ' O ' ' A' ' 22' ' ' LYS . . . -34.54 -46.32 0.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.129 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -56.8 -47.97 79.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.917 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 22' ' ' LYS . 20.2 tp -61.52 -45.36 94.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.45 ' HA ' HD12 ' A' ' 29' ' ' LEU . 27.9 t-20 -47.07 -48.28 22.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 91.5 t -67.57 -41.21 85.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.118 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 65.2 t60 -53.09 -33.3 51.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.824 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.5 ' O ' ' N ' ' A' ' 32' ' ' HIS . 7.8 mt -71.92 -41.31 68.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 74.0 mtt-85 -39.94 -25.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.872 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 29' ' ' LEU . 24.1 mttm -90.14 -37.53 14.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.5 ' N ' ' O ' ' A' ' 29' ' ' LEU . 12.7 m-70 -57.66 -51.91 67.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.873 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 12.0 t -84.04 130.66 34.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 140.5 54.59 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.472 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 41.43 42.73 1.97 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.943 0.401 . . . . 0.0 110.913 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.0 ttpt . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.94 179.948 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.466 -0.253 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.6 m -106.88 161.21 14.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.901 0.381 . . . . 0.0 110.834 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.7 p -118.85 85.0 2.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.87 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -104.67 146.0 16.08 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.502 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.1 p -118.36 147.1 43.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.927 0.394 . . . . 0.0 110.8 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.6 m -152.31 148.16 27.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.7 61.44 0.3 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.499 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.59 ' HD2' ' HB2' ' A' ' 20' ' ' ALA . 17.7 mmtp -98.37 150.09 36.38 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.571 0.7 . . . . 0.0 110.912 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.466 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 53.8 Cg_endo -69.76 -48.2 0.77 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.7 2.267 . . . . 0.0 112.341 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.558 ' CE2' ' HB2' ' A' ' 22' ' ' LYS . 74.7 m-85 -74.02 136.91 43.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.6 mptp? -131.6 149.76 52.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.905 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 36.1 t -86.14 123.85 71.13 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.619 0.723 . . . . 0.0 110.846 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.558 ' HD2' HD21 ' A' ' 29' ' ' LEU . 53.6 Cg_endo -69.82 -7.61 21.51 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.698 2.266 . . . . 0.0 112.3 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -101.17 -61.02 1.42 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.949 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.441 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 14.7 p -115.95 -175.05 2.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.5 t -84.31 33.6 0.5 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.448 ' CD1' ' C ' ' A' ' 17' ' ' TYR . 4.8 t80 -89.87 125.79 35.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.913 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.443 ' HB1' ' O ' ' A' ' 10' ' ' TYR . . . -137.92 139.72 39.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.158 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.2 t -135.18 165.98 24.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.852 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.59 ' HB2' ' HD2' ' A' ' 8' ' ' LYS . . . -84.43 -24.56 29.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.135 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 44.3 mt -105.93 127.93 60.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.11 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.558 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . 39.7 tptt -58.56 -54.6 45.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -43.35 -44.74 5.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.119 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -56.17 -47.76 77.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 26.0 tp -62.98 -41.87 99.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -49.08 -53.93 18.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.858 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 94.1 t -62.95 -34.89 68.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.103 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 77.3 t60 -59.91 -37.43 79.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.846 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.558 HD21 ' HD2' ' A' ' 13' ' ' PRO . 8.2 mt -70.14 -40.57 74.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.946 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 36.2 mtt-85 -39.9 -25.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 29' ' ' LEU . 34.6 mttt -91.73 -36.62 13.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.501 ' N ' ' O ' ' A' ' 29' ' ' LEU . 14.2 m-70 -60.87 -43.55 98.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.84 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 12.1 t -105.65 141.69 36.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.147 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -170.69 -168.72 32.86 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.481 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -118.03 9.82 12.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.849 0.357 . . . . 0.0 110.848 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 23.3 tptp . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.873 179.979 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.9 t -38.45 131.77 1.19 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.864 0.364 . . . . 0.0 110.842 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.4 t 48.9 41.95 19.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.879 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -50.6 117.22 4.96 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.462 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.0 m -116.89 -51.45 2.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.818 0.342 . . . . 0.0 110.844 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 t -141.18 156.46 45.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.846 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.13 -105.56 0.19 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.51 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.433 ' HD3' ' C ' ' A' ' 18' ' ' ALA . 43.4 mttt -105.01 146.65 33.08 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.56 0.695 . . . . 0.0 110.942 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.577 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 53.9 Cg_endo -69.71 -50.51 0.46 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.704 2.269 . . . . 0.0 112.381 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.577 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 33.6 m-85 -74.39 121.99 22.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -121.95 146.33 47.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.908 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 17.4 t -73.67 128.44 86.96 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.658 0.742 . . . . 0.0 110.905 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.624 ' HD2' HD21 ' A' ' 29' ' ' LEU . 53.5 Cg_endo -69.77 -3.48 12.1 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.676 2.25 . . . . 0.0 112.3 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -110.46 -57.35 2.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.922 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.447 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 31.7 p -117.72 -175.2 2.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 17' ' ' TYR . 30.6 m -72.4 -17.58 61.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.74 ' CD2' ' CE1' ' A' ' 28' ' ' HIS . 4.2 t80 -34.42 127.73 0.45 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.944 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.433 ' C ' ' HD3' ' A' ' 8' ' ' LYS . . . -140.04 144.0 36.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.082 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.6 t -138.39 142.18 39.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.72 -16.54 63.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.062 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 63.4 mt -116.52 132.74 65.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.137 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.5 tttt -57.38 -60.43 3.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -41.35 -44.53 2.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.133 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -55.39 -50.69 69.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 17.8 tp -60.94 -48.32 82.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.953 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 15.8 t30 -43.04 -51.27 5.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 87.7 t -62.72 -44.81 99.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.134 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.74 ' CE1' ' CD2' ' A' ' 17' ' ' TYR . 74.5 t60 -48.58 -38.27 20.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.624 HD21 ' HD2' ' A' ' 13' ' ' PRO . 8.1 mt -69.98 -43.78 70.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.972 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 33.4 mtp180 -39.86 -25.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.483 ' N ' ' O ' ' A' ' 29' ' ' LEU . 22.2 mttt -89.41 -38.32 14.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.898 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.496 ' N ' ' O ' ' A' ' 29' ' ' LEU . 17.8 m-70 -57.37 -39.36 75.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.43 ' O ' ' C ' ' A' ' 34' ' ' GLY . 9.8 t -84.37 27.35 0.7 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.132 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.43 ' C ' ' O ' ' A' ' 33' ' ' THR . . . 34.84 -123.08 0.52 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.465 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.1 pm0 -116.58 176.91 4.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.953 0.406 . . . . 0.0 110.851 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.4 ttmm . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 179.936 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.4 m -62.92 92.8 0.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.898 0.38 . . . . 0.0 110.833 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.0 p -174.82 141.71 0.64 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.877 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 136.54 69.46 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.458 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 98.4 p -99.95 42.22 1.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.854 0.359 . . . . 0.0 110.88 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.4 p -160.47 140.84 11.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.891 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.08 64.27 0.37 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.492 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.687 ' HD2' ' HB2' ' A' ' 20' ' ' ALA . 30.6 mmtm -71.81 152.51 93.26 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.573 0.701 . . . . 0.0 110.9 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.49 ' O ' ' CD ' ' A' ' 11' ' ' LYS . 54.5 Cg_endo -69.73 -47.19 0.99 Allowed 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.746 2.298 . . . . 0.0 112.348 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.486 ' CD2' ' HG2' ' A' ' 9' ' ' PRO . 52.8 m-85 -74.16 129.16 37.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.943 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.49 ' CD ' ' O ' ' A' ' 9' ' ' PRO . 3.8 mptt -118.78 149.97 40.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.87 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.7 t -85.81 133.72 40.95 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.631 0.729 . . . . 0.0 110.847 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -18.59 37.14 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.647 2.231 . . . . 0.0 112.369 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 35.4 mm-40 -92.55 -61.65 1.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.933 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 31.1 p -115.35 -176.58 2.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 31.5 t -84.79 29.59 0.61 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.846 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -79.01 120.7 23.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.958 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.521 ' HB1' ' HB2' ' A' ' 8' ' ' LYS . . . -125.34 130.28 51.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.112 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.4 t -119.88 157.74 28.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.827 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.687 ' HB2' ' HD2' ' A' ' 8' ' ' LYS . . . -89.51 9.88 24.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.107 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.451 HG22 ' H ' ' A' ' 23' ' ' ALA . 14.4 mm -138.99 113.06 7.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.167 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.469 ' HB2' ' CE1' ' A' ' 10' ' ' TYR . 14.8 tptp -42.69 -36.22 1.36 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.451 ' H ' HG22 ' A' ' 21' ' ' ILE . . . -73.31 -40.53 64.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.096 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.43 ' CG ' ' HB ' ' A' ' 21' ' ' ILE . 61.9 m-20 -54.71 -31.6 58.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 13.2 tp -77.48 -46.27 23.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.93 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 26.4 m-20 -47.51 -46.06 27.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 91.7 t -68.52 -37.59 77.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.131 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 68.5 t60 -55.03 -34.3 63.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.504 ' O ' ' N ' ' A' ' 32' ' ' HIS . 8.2 mt -72.27 -40.25 67.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 76.9 mtp85 -39.83 -25.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 29' ' ' LEU . 22.2 mttp -90.77 -37.13 13.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.504 ' N ' ' O ' ' A' ' 29' ' ' LEU . 12.1 m-70 -57.6 -44.91 85.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.842 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.0 t -100.2 131.33 46.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.123 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 119.22 -53.79 0.66 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.45 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -105.59 141.05 37.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.927 0.394 . . . . 0.0 110.884 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 31.7 mmtm . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.962 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.8 m -114.43 -50.97 2.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.865 0.364 . . . . 0.0 110.847 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.5 p -95.74 159.7 14.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.834 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.75 -113.55 0.34 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.514 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.7 t -155.05 114.27 3.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.916 0.389 . . . . 0.0 110.897 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.9 m 61.06 42.49 12.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.867 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.41 -106.11 2.26 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.518 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.405 ' HD2' ' CA ' ' A' ' 19' ' ' SER . 7.2 mtmt -62.36 144.02 95.4 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.585 0.707 . . . . 0.0 110.942 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.485 ' HG2' ' CD2' ' A' ' 10' ' ' TYR . 54.0 Cg_endo -69.75 -49.83 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.729 2.286 . . . . 0.0 112.312 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.532 ' CE1' ' HB2' ' A' ' 22' ' ' LYS . 56.2 m-85 -71.85 127.8 33.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.926 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -124.12 150.05 45.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.91 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.0 t -84.69 123.87 73.72 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.572 0.701 . . . . 0.0 110.874 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -4.49 14.13 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.698 2.265 . . . . 0.0 112.342 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 34.0 mm-40 -104.84 -61.9 1.41 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 15.7 p -115.85 -175.23 2.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.94 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 71.5 p -84.15 34.69 0.51 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 20.8 t80 -86.66 120.99 28.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.918 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -120.06 138.59 53.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.134 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.405 ' CA ' ' HD2' ' A' ' 8' ' ' LYS . 13.6 t -132.35 154.08 50.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.876 -179.789 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -86.8 -22.18 26.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.081 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 52.0 mt -115.29 123.83 71.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.109 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.532 ' HB2' ' CE1' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -49.11 -56.15 10.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 179.828 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -42.98 -47.17 5.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.14 179.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 65.9 m-20 -54.93 -51.53 65.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.906 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 18.4 tp -59.23 -45.83 90.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.942 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 32.3 m-20 -46.19 -46.87 17.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 97.6 t -69.41 -40.64 80.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.129 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -52.58 -31.16 34.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.501 ' O ' ' N ' ' A' ' 32' ' ' HIS . 7.9 mt -75.02 -40.15 60.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 65.7 mtp85 -39.95 -25.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 29' ' ' LEU . 22.5 mttt -91.32 -36.74 13.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.501 ' N ' ' O ' ' A' ' 29' ' ' LEU . 17.3 m-70 -60.12 -44.09 95.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.5 t -95.0 -33.82 12.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.136 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -42.88 -60.08 3.07 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.474 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 57.9 tt0 -163.96 139.75 6.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.928 0.394 . . . . 0.0 110.874 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.419 ' C ' ' HD3' ' A' ' 36' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.946 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.0 m -51.8 110.79 0.51 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.899 0.38 . . . . 0.0 110.802 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.5 m -67.29 142.03 57.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.888 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -99.34 -42.24 2.8 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.471 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 6' ' ' SER . 78.3 p -42.85 -48.76 5.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.876 0.37 . . . . 0.0 110.85 -179.711 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 5' ' ' SER . 23.3 t 36.49 47.45 0.51 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.848 -179.801 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -107.24 46.75 1.12 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.486 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.4 mttp -148.19 142.58 16.59 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.611 0.72 . . . . 0.0 110.862 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.572 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 53.7 Cg_endo -69.73 -50.82 0.43 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.716 2.277 . . . . 0.0 112.347 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.572 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 35.0 m-85 -74.03 138.51 44.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -134.01 149.61 51.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.907 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.402 ' N ' ' O ' ' A' ' 17' ' ' TYR . 44.4 t -83.08 124.07 76.85 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.638 0.732 . . . . 0.0 110.854 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.557 ' HD2' HD21 ' A' ' 29' ' ' LEU . 54.1 Cg_endo -69.77 -11.52 30.99 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.661 2.241 . . . . 0.0 112.348 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -97.33 -61.7 1.36 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.895 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.426 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 14.9 p -114.98 -175.23 2.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 63.5 m -84.17 33.9 0.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.427 ' CD1' ' CD2' ' A' ' 28' ' ' HIS . 30.4 t80 -87.92 124.5 33.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.983 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -123.01 142.16 51.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.134 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 24.2 t -129.82 146.66 51.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.837 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.93 -22.67 52.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.1 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 30.3 mt -114.97 141.47 31.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.562 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . 13.6 tptm -60.05 -59.67 5.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -47.53 -42.84 24.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.071 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -52.35 -49.32 64.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.875 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 28.6 tp -62.37 -46.09 90.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.929 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 32.1 m-20 -43.73 -48.15 7.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 90.7 t -64.92 -41.09 91.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.114 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.427 ' CD2' ' CD1' ' A' ' 17' ' ' TYR . 83.1 t60 -54.21 -39.49 66.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.557 HD21 ' HD2' ' A' ' 13' ' ' PRO . 8.4 mt -69.73 -41.54 75.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.92 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 88.7 mtt180 -39.88 -25.38 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.905 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.474 ' N ' ' O ' ' A' ' 29' ' ' LEU . 21.6 mttm -92.43 -36.19 13.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.501 ' N ' ' O ' ' A' ' 29' ' ' LEU . 15.7 m-70 -61.12 -43.01 99.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.534 HG23 ' O ' ' A' ' 33' ' ' THR . 9.9 t -81.02 113.27 19.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.125 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -119.96 50.28 0.83 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.518 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -103.4 110.89 23.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.937 0.399 . . . . 0.0 110.885 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 41.2 mttp . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.865 179.975 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 m -64.9 -60.63 2.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.907 0.384 . . . . 0.0 110.867 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.8 p 43.09 42.59 3.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.8 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.96 125.22 2.23 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.452 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -74.55 -61.01 2.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.878 0.37 . . . . 0.0 110.858 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.1 p -77.15 -47.44 20.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.859 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.63 94.71 0.48 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.466 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.458 ' HD3' ' N ' ' A' ' 20' ' ' ALA . 13.9 mttp -54.05 152.7 10.26 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.588 0.708 . . . . 0.0 110.928 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.57 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 53.5 Cg_endo -69.75 -48.82 0.64 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.673 2.249 . . . . 0.0 112.331 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.57 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 27.4 m-85 -77.34 127.55 32.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.434 ' HD3' ' C ' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -129.01 149.92 50.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.864 179.886 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.3 t -82.16 125.38 77.17 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.637 0.732 . . . . 0.0 110.897 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -10.91 29.76 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.68 2.254 . . . . 0.0 112.325 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -97.28 -61.18 1.44 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.962 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.6 p -113.06 -176.26 2.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.1 m -85.5 33.71 0.57 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 31.6 t80 -84.25 119.01 24.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.937 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -115.04 132.67 56.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.11 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.0 p -124.61 147.16 48.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.899 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.458 ' N ' ' HD3' ' A' ' 8' ' ' LYS . . . -81.02 -21.87 39.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.078 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 34.7 mt -115.94 146.49 20.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.129 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.476 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . 18.9 tptp -67.81 -51.6 46.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 179.807 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.84 -41.88 58.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -56.23 -45.88 79.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 22.2 tp -61.84 -51.86 66.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -40.69 -49.97 3.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.864 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 88.6 t -64.69 -42.3 94.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.1 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -53.16 -41.33 65.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.502 ' O ' ' N ' ' A' ' 32' ' ' HIS . 8.5 mt -67.6 -42.7 82.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.948 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 47.5 mtt180 -39.93 -25.38 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 29' ' ' LEU . 39.4 mttt -91.22 -36.84 13.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.842 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.502 ' N ' ' O ' ' A' ' 29' ' ' LEU . 14.4 m-70 -60.55 -45.94 92.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.843 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.431 ' O ' ' C ' ' A' ' 34' ' ' GLY . 11.2 t -83.93 -29.24 27.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.098 -179.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 33' ' ' THR . . . -34.93 -85.75 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.503 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -115.38 5.71 14.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.949 0.404 . . . . 0.0 110.89 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 32' ' ' HIS . 3.5 tppp? . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.91 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 76.6 p -41.3 138.94 1.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.893 0.378 . . . . 0.0 110.852 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.5 m 46.95 42.41 12.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.843 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.3 -68.6 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.504 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -110.78 138.08 47.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.916 0.389 . . . . 0.0 110.859 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.5 m -45.45 -54.93 6.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.843 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.08 -159.28 53.69 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.477 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.2 mttm -114.74 144.33 31.72 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.591 0.71 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.513 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 53.8 Cg_endo -69.76 -50.39 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.716 2.277 . . . . 0.0 112.38 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.513 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 50.4 m-85 -76.38 138.03 40.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.928 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -133.51 148.75 51.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.905 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 37.3 t -80.74 123.74 82.25 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.603 0.716 . . . . 0.0 110.888 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -2.01 9.42 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.687 2.258 . . . . 0.0 112.37 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -109.87 -60.52 1.78 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.45 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 10.9 p -115.21 -175.27 2.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.7 t -84.98 35.81 0.59 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.842 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.45 ' CB ' ' SG ' ' A' ' 15' ' ' CYS . 5.9 t80 -90.93 129.64 36.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -133.66 142.11 47.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.124 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 t -139.54 122.9 17.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.825 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -48.1 -19.33 0.26 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.067 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 50.9 mt -111.88 145.84 17.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.161 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.436 ' O ' ' N ' ' A' ' 25' ' ' LEU . 22.5 tptp -74.1 -65.63 0.82 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 22' ' ' LYS . . . -34.57 -42.44 0.15 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.076 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -58.8 -50.21 74.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' A' ' 22' ' ' LYS . 20.3 tp -56.94 -45.01 83.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.924 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.446 ' OD1' ' C ' ' A' ' 26' ' ' ASN . 3.2 t30 -48.48 -51.77 25.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 83.2 t -64.71 -40.63 89.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.111 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.42 ' CE1' ' CD2' ' A' ' 17' ' ' TYR . 73.6 t60 -52.09 -36.08 49.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.502 ' O ' ' N ' ' A' ' 32' ' ' HIS . 8.1 mt -72.44 -44.72 62.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.936 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 84.9 mtt180 -40.35 -24.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' A' ' 29' ' ' LEU . 40.5 mttt -89.11 -37.16 15.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.502 ' N ' ' O ' ' A' ' 29' ' ' LEU . 12.2 m-70 -56.37 -46.1 80.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.5 t -82.85 144.45 30.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.115 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 101.09 40.48 2.83 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.478 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -173.94 175.22 2.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.943 0.401 . . . . 0.0 110.881 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 49.8 mtmt . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 179.935 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.499 -0.241 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.8 t -39.68 104.9 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.819 0.343 . . . . 0.0 110.858 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.9 t -172.87 127.17 0.48 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.18 -156.49 28.1 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.524 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.8 m -97.2 166.93 11.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.882 0.372 . . . . 0.0 110.853 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.4 t -105.68 141.93 36.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.13 -136.71 2.16 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.523 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.491 ' HG2' ' N ' ' A' ' 20' ' ' ALA . 8.5 mptt -70.53 143.65 90.47 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.569 0.699 . . . . 0.0 110.884 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.541 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 53.9 Cg_endo -69.73 -50.94 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.669 2.246 . . . . 0.0 112.326 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.541 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 54.2 m-85 -63.55 132.78 52.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.943 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -121.92 150.01 42.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.835 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.482 ' N ' ' O ' ' A' ' 17' ' ' TYR . 51.9 t -88.85 127.09 57.3 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.597 0.713 . . . . 0.0 110.91 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.637 ' HD2' HD21 ' A' ' 29' ' ' LEU . 53.7 Cg_endo -69.78 -19.09 36.46 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.633 2.222 . . . . 0.0 112.359 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.559 ' HG3' HD23 ' A' ' 29' ' ' LEU . 0.8 OUTLIER -87.08 -50.65 6.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.939 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.4 ' O ' ' O ' ' A' ' 12' ' ' CYS . 16.0 p -131.1 -174.89 3.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.0 t -83.75 35.86 0.53 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.852 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.482 ' O ' ' N ' ' A' ' 12' ' ' CYS . 3.8 t80 -91.67 128.62 37.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.928 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.526 ' HB1' ' O ' ' A' ' 10' ' ' TYR . . . -132.25 135.66 46.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.119 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.425 ' C ' ' HG2' ' A' ' 8' ' ' LYS . 13.8 t -124.66 162.86 23.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.779 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.491 ' N ' ' HG2' ' A' ' 8' ' ' LYS . . . -80.16 -26.76 39.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.119 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 32.5 mt -114.14 138.05 45.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.165 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -61.8 -56.22 21.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.88 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -39.54 -45.95 1.67 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.123 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -57.41 -47.58 81.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 20.8 tp -59.89 -48.5 81.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 12.6 t30 -43.21 -55.33 4.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 76.1 t -63.4 -44.46 98.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.097 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 68.2 t60 -47.94 -32.31 6.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.637 HD21 ' HD2' ' A' ' 13' ' ' PRO . 7.7 mt -75.35 -40.24 58.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.936 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 67.9 mtt180 -39.77 -25.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.479 ' N ' ' O ' ' A' ' 29' ' ' LEU . 46.2 mttt -88.16 -38.33 15.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.908 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.505 ' N ' ' O ' ' A' ' 29' ' ' LEU . 46.7 m-70 -64.39 -39.63 94.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.88 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.8 t -99.68 78.47 2.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.165 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -65.58 107.95 2.15 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.462 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -81.0 148.68 29.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.867 0.365 . . . . 0.0 110.926 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 42.4 mmtt . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 179.975 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.496 -0.241 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.7 m -158.75 128.81 5.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.936 0.398 . . . . 0.0 110.822 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 4' ' ' GLY . 20.1 m -129.85 -45.84 1.16 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.823 -179.804 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 3' ' ' SER . . . 36.96 -146.85 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.522 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 m -151.3 175.45 12.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.822 0.344 . . . . 0.0 110.89 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.1 t -132.59 122.62 25.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.99 -54.94 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.51 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.477 ' HG2' ' N ' ' A' ' 20' ' ' ALA . 0.5 OUTLIER -44.62 141.98 2.64 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.55 0.691 . . . . 0.0 110.941 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.583 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 53.9 Cg_endo -69.76 -50.95 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.689 2.259 . . . . 0.0 112.347 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.583 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 41.2 m-85 -67.23 128.47 36.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.411 ' HD3' ' C ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -119.97 150.19 40.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.927 179.896 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.458 ' N ' ' O ' ' A' ' 17' ' ' TYR . 48.5 t -84.17 129.57 57.86 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.594 0.711 . . . . 0.0 110.9 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.59 ' HD2' HD21 ' A' ' 29' ' ' LEU . 53.6 Cg_endo -69.77 -13.61 34.9 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.666 2.244 . . . . 0.0 112.35 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 -97.74 -64.29 1.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.941 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.468 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 18.0 p -110.19 -174.91 2.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.881 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.7 m -84.64 27.37 0.73 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.801 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.468 ' CB ' ' SG ' ' A' ' 15' ' ' CYS . 11.0 t80 -82.54 125.32 31.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.417 ' HB1' ' O ' ' A' ' 10' ' ' TYR . . . -129.36 131.2 46.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.112 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.431 ' C ' ' HG2' ' A' ' 8' ' ' LYS . 10.9 p -115.63 162.82 16.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.8 -179.721 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.477 ' N ' ' HG2' ' A' ' 8' ' ' LYS . . . -88.37 -14.94 36.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.122 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 24.8 mt -126.1 133.28 69.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.174 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 41.7 tptt -54.65 -55.12 32.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -47.87 -41.05 23.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.098 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -59.77 -41.4 91.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 13.2 tp -67.06 -46.66 73.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 25.7 m-20 -46.09 -45.81 16.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 88.9 t -69.84 -38.59 76.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.137 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 70.3 t60 -57.59 -36.93 72.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.59 HD21 ' HD2' ' A' ' 13' ' ' PRO . 8.7 mt -72.43 -41.86 65.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.897 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 73.5 mtp85 -39.73 -25.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.837 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 29' ' ' LEU . 4.2 mtpm? -89.41 -38.13 14.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.502 ' N ' ' O ' ' A' ' 29' ' ' LEU . 18.5 m-70 -56.33 -49.47 74.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.475 HG23 ' O ' ' A' ' 33' ' ' THR . 15.0 t -88.17 124.27 33.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.15 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 160.04 -82.02 0.14 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.461 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 33.9 tp10 -106.29 132.96 51.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.883 0.373 . . . . 0.0 110.842 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.1 tppp? . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 179.939 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.4 p -138.79 109.65 6.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.803 0.335 . . . . 0.0 110.845 -179.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -116.1 -61.52 1.72 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 60.55 67.1 2.29 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.473 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 t -119.49 59.11 0.86 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.912 0.387 . . . . 0.0 110.86 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.2 t -130.94 104.58 7.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.826 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.9 58.79 4.26 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.454 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.84 ' HB2' ' HB1' ' A' ' 18' ' ' ALA . 27.2 mmtt -119.32 143.02 33.47 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.552 0.691 . . . . 0.0 110.91 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.58 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 54.1 Cg_endo -69.7 -46.51 1.22 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.701 2.267 . . . . 0.0 112.348 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.58 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 28.6 m-85 -86.7 124.45 32.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.421 ' HD3' ' C ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -122.67 150.11 43.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.874 179.943 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 46.7 t -87.21 127.69 58.21 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.616 0.722 . . . . 0.0 110.889 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -15.58 37.14 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.681 2.254 . . . . 0.0 112.347 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 22.5 mm-40 -91.38 -58.32 2.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.945 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.426 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 19.1 p -116.92 -175.79 2.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 47.7 m -85.19 29.35 0.66 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.856 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.426 ' CB ' ' SG ' ' A' ' 15' ' ' CYS . 8.3 t80 -78.37 120.58 23.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.922 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.84 ' HB1' ' HB2' ' A' ' 8' ' ' LYS . . . -127.73 125.29 39.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.097 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 18.7 t -124.05 158.4 32.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.834 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -92.63 19.51 7.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.127 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 80.6 mt -146.07 130.24 11.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.108 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.453 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . 30.7 tttt -61.5 -42.29 98.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.64 -43.96 85.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.086 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -57.72 -50.93 71.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 18.4 tp -58.53 -49.82 76.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -42.98 -62.68 0.96 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 88.7 t -55.63 -48.07 78.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.142 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 76.8 t60 -45.13 -33.36 2.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.504 ' O ' ' N ' ' A' ' 32' ' ' HIS . 8.3 mt -72.86 -47.5 45.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.93 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -40.02 -25.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.837 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.485 ' N ' ' O ' ' A' ' 29' ' ' LEU . 28.8 mttm -87.47 -38.29 16.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.903 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.504 ' N ' ' O ' ' A' ' 29' ' ' LEU . 12.4 m-70 -57.8 -43.7 85.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.8 t -78.28 -40.9 35.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 57.51 -161.22 9.52 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.499 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -105.02 138.11 41.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.983 0.421 . . . . 0.0 110.87 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 17.0 tptt . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.87 179.989 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.44 -0.264 . . . . 0.0 112.44 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 m -49.78 -43.62 48.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.845 0.355 . . . . 0.0 110.828 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 m -125.05 121.84 35.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.916 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.83 -138.57 20.32 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.458 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.7 p -127.07 159.85 32.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.887 0.375 . . . . 0.0 110.861 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.3 t -113.8 91.6 3.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.88 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.54 80.74 0.1 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.488 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.6 mttp -102.3 142.36 24.42 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.559 0.695 . . . . 0.0 110.899 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.558 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 53.9 Cg_endo -69.77 -50.91 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.705 2.27 . . . . 0.0 112.314 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.558 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 38.0 m-85 -70.5 132.74 45.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.955 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -129.55 149.71 51.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 34.5 t -81.44 125.41 78.82 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.652 0.739 . . . . 0.0 110.876 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.512 ' HD2' HD21 ' A' ' 29' ' ' LEU . 53.9 Cg_endo -69.76 -9.04 25.13 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.652 2.235 . . . . 0.0 112.36 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -101.68 -62.92 1.19 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.933 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.3 p -113.5 -174.95 2.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 31.3 m -83.93 35.0 0.51 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.851 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.487 ' CD2' ' CE1' ' A' ' 28' ' ' HIS . 5.2 t80 -85.7 121.81 28.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -120.44 146.18 46.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.112 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 27.2 t -139.63 147.44 41.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.857 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.84 -24.75 52.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.093 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 37.7 mt -115.34 141.86 30.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.157 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.416 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . 33.8 tptt -60.55 -62.29 1.97 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.845 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -40.02 -40.81 1.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.109 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -57.88 -48.37 80.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 20.7 tp -64.51 -44.03 92.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -48.86 -48.45 41.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.441 ' HA ' ' CD ' ' A' ' 30' ' ' ARG . 84.8 t -66.11 -36.27 77.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.164 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.487 ' CE1' ' CD2' ' A' ' 17' ' ' TYR . 78.0 t60 -58.94 -35.5 73.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.859 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.512 HD21 ' HD2' ' A' ' 13' ' ' PRO . 8.0 mt -71.66 -40.14 69.85 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.888 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.441 ' CD ' ' HA ' ' A' ' 27' ' ' VAL . 42.7 mtp85 -40.53 -24.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 29' ' ' LEU . 32.7 mttp -92.51 -35.31 13.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.85 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.502 ' N ' ' O ' ' A' ' 29' ' ' LEU . 12.9 m-70 -62.22 -35.19 78.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.854 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.3 t -96.35 95.01 7.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.162 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.63 155.56 36.99 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.459 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 45.7 mm-40 -115.78 156.6 25.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.907 0.384 . . . . 0.0 110.886 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.415 ' HD2' ' C ' ' A' ' 36' ' ' LYS . 1.2 pptp? . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.853 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.7 p -98.67 -47.85 5.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.897 0.38 . . . . 0.0 110.88 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.9 p -110.92 81.65 1.47 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.832 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.59 83.69 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.475 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.7 m -124.84 42.24 3.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.887 0.375 . . . . 0.0 110.901 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.6 t -97.58 -57.8 2.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.898 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.31 76.5 1.32 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.487 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.2 mttp -65.27 142.71 98.58 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.586 0.708 . . . . 0.0 110.883 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.502 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 53.8 Cg_endo -69.75 -50.78 0.43 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.684 2.256 . . . . 0.0 112.341 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.502 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 51.7 m-85 -68.61 136.11 52.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.953 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -133.44 148.58 51.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.3 t -84.74 122.79 74.67 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.656 0.741 . . . . 0.0 110.801 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -9.74 26.86 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.671 2.248 . . . . 0.0 112.34 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -97.94 -59.46 1.76 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.417 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 15.9 p -118.74 -175.58 2.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.4 t -84.18 33.88 0.5 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.829 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.417 ' CB ' ' SG ' ' A' ' 15' ' ' CYS . 9.9 t80 -87.24 120.87 28.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -116.63 146.94 42.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.079 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.6 p -137.48 152.71 49.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -83.79 -19.99 34.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.085 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 72.3 mt -123.91 144.52 33.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.168 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.463 ' O ' ' N ' ' A' ' 25' ' ' LEU . 26.6 tptp -63.14 -63.55 1.16 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 22' ' ' LYS . . . -36.37 -45.99 0.51 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.083 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -57.05 -43.89 82.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.869 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.463 ' N ' ' O ' ' A' ' 22' ' ' LYS . 18.1 tp -65.21 -46.52 80.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 33.1 m-20 -45.75 -46.65 15.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 86.9 t -67.37 -43.06 88.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.174 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 80.4 t60 -52.47 -40.75 62.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.859 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.504 ' O ' ' N ' ' A' ' 32' ' ' HIS . 8.3 mt -68.23 -42.83 79.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.915 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 55.3 mtt180 -39.87 -25.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' A' ' 29' ' ' LEU . 57.7 mttt -90.43 -37.18 14.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.504 ' N ' ' O ' ' A' ' 29' ' ' LEU . 15.2 m-70 -58.28 -42.79 87.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.848 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.629 HG23 ' O ' ' A' ' 33' ' ' THR . 9.0 t -104.16 106.61 17.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.169 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -177.18 -61.76 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.478 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -43.8 157.36 0.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.98 0.419 . . . . 0.0 110.845 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.7 ttmt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.863 179.98 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.8 p -107.04 136.31 47.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.927 0.394 . . . . 0.0 110.808 -179.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.0 m -136.06 168.08 20.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.88 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.06 154.3 25.49 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.52 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m -109.12 -55.35 2.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.878 0.37 . . . . 0.0 110.863 -179.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.7 m -97.82 170.77 8.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.03 -132.1 3.24 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.472 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.486 ' HG2' ' N ' ' A' ' 20' ' ' ALA . 8.7 mptt -47.87 145.97 4.33 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.58 0.705 . . . . 0.0 110.923 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.568 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 53.8 Cg_endo -69.75 -50.82 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.659 2.239 . . . . 0.0 112.349 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.568 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 42.1 m-85 -68.19 126.11 28.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.433 ' HD3' ' C ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -126.97 150.2 49.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.911 179.908 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.3 t -85.25 127.46 63.81 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.652 0.739 . . . . 0.0 110.896 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.54 ' HD2' HD21 ' A' ' 29' ' ' LEU . 53.9 Cg_endo -69.77 -3.49 12.13 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.648 2.232 . . . . 0.0 112.362 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 17.9 mm-40 -105.83 -61.6 1.48 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.936 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.418 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 20.6 p -110.33 -177.75 3.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 21.4 t -85.94 31.2 0.63 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.418 ' CB ' ' SG ' ' A' ' 15' ' ' CYS . 51.6 t80 -82.67 138.3 34.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -140.96 135.64 31.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.133 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 17.0 t -129.6 157.22 42.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.863 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.486 ' N ' ' HG2' ' A' ' 8' ' ' LYS . . . -82.44 -22.82 35.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.114 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 49.7 mt -114.39 132.62 62.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.151 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.536 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . 11.7 tppt? -57.22 -57.56 12.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -40.29 -45.05 2.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.094 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -57.33 -48.87 77.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.884 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 20.5 tp -60.07 -47.7 84.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.957 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -45.72 -54.49 7.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 69.3 t -59.72 -43.43 91.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.127 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 65.1 t60 -51.37 -42.77 61.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.848 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.54 HD21 ' HD2' ' A' ' 13' ' ' PRO . 8.2 mt -65.57 -44.88 85.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 24.8 mtm180 -39.98 -25.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.83 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.484 ' N ' ' O ' ' A' ' 29' ' ' LEU . 10.5 mtpp -88.02 -38.15 15.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.888 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.503 ' N ' ' O ' ' A' ' 29' ' ' LEU . 12.8 m-70 -58.81 -46.61 87.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.797 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.641 HG23 ' O ' ' A' ' 33' ' ' THR . 9.6 t -78.69 80.59 5.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.18 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -130.76 160.58 23.25 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.474 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -111.49 40.29 2.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.925 0.393 . . . . 0.0 110.932 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.6 ttpm? . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.884 179.989 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_